N-(3-cyclopentyloxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-(cyclopropylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-ethoxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-[(2-fluoro-2-methylcyclopropyl)methoxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(3-methoxypropoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-methyl-3-methylsulfonyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxan-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-phenylmethoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine

C211H215FN62O16S2 — CID 161453958

IUPACN-(3-cyclopentyloxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-(cyclopropylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-ethoxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-[(2-fluoro-2-methylcyclopropyl)methoxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(3-methoxypropoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-methyl-3-methylsulfonyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxan-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-phenylmethoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
SMILESC=S1(=O)CCC(Oc2nn(C)c3cc(Nc4n[nH]c5cccnc45)ccc23)CC1.CCOc1nn(C)c2cc(NC3=NCc4cccnc43)ccc12.CN1CCC(Oc2nn(C)c3cc(Nc4n[nH]c5cccnc45)ccc23)CC1.COCCCOc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12.Cc1cc(COc2nn(C)c3cc(NC4=NCc5cccnc54)ccc23)no1.Cn1nc(OC2CCCC2)c2ccc(Nc3n[nH]c4cccnc34)cc21.Cn1nc(OCC2CC2(C)F)c2ccc(Nc3n[nH]c4cccnc34)cc21.Cn1nc(OCC2CC2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OCC2CCCCO2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OCc2ccccc2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(S(C)(=O)=O)c2ccc(NC3=NCc4cccnc43)cc21
InChIInChI=1S/C22H19N5O.C21H23N5O2.C20H23N7O.C20H22N6O2S.C20H18N6O2.C19H19FN6O.C19H20N6O.C19H19N5O.C18H20N6O2.C17H17N5O.C16H15N5O2S/c1-27-19-12-17(25-21-20-16(13-24-21)8-5-11-23-20)9-10-18(19)22(26-27)28-14-15-6-3-2-4-7-15;1-26-18-11-15(24-20-19-14(12-23-20)5-4-9-22-19)7-8-17(18)21(25-26)28-13-16-6-2-3-10-27-16;1-26-10-7-14(8-11-26)28-20-15-6-5-13(12-17(15)27(2)25-20)22-19-18-16(23-24-19)4-3-9-21-18;1-26-17-12-13(22-19-18-16(23-24-19)4-3-9-21-18)5-6-15(17)20(25-26)28-14-7-10-29(2,27)11-8-14;1-12-8-15(25-28-12)11-27-20-16-6-5-14(9-17(16)26(2)24-20)23-19-18-13(10-22-19)4-3-7-21-18;1-19(20)9-11(19)10-27-18-13-6-5-12(8-15(13)26(2)25-18)22-17-16-14(23-24-17)4-3-7-21-16;1-25-16-11-12(21-18-17-15(22-23-18)7-4-10-20-17)8-9-14(16)19(24-25)26-13-5-2-3-6-13;1-24-16-9-14(22-18-17-13(10-21-18)3-2-8-20-17)6-7-15(16)19(23-24)25-11-12-4-5-12;1-24-15-11-12(20-17-16-14(21-22-17)5-3-8-19-16)6-7-13(15)18(23-24)26-10-4-9-25-2;1-3-23-17-13-7-6-12(9-14(13)22(2)21-17)20-16-15-11(10-19-16)5-4-8-18-15;1-21-13-8-11(5-6-12(13)16(20-21)24(2,22)23)19-15-14-10(9-18-15)4-3-7-17-14/h2-12H,13-14H2,1H3,(H,24,25);4-5,7-9,11,16H,2-3,6,10,12-13H2,1H3,(H,23,24);3-6,9,12,14H,7-8,10-11H2,1-2H3,(H2,22,23,24);3-6,9,12,14H,2,7-8,10-11H2,1H3,(H2,22,23,24);3-9H,10-11H2,1-2H3,(H,22,23);3-8,11H,9-10H2,1-2H3,(H2,22,23,24);4,7-11,13H,2-3,5-6H2,1H3,(H2,21,22,23);2-3,6-9,12H,4-5,10-11H2,1H3,(H,21,22);3,5-8,11H,4,9-10H2,1-2H3,(H2,20,21,22);4-9H,3,10H2,1-2H3,(H,19,20);3-8H,9H2,1-2H3,(H,18,19)
InChIKeyWAXCBZWOTSWDGV-UHFFFAOYSA-N
MW3958.59 g/mol
LogP34.57
Rot. Bonds45

About N-(3-cyclopentyloxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-(cyclopropylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-ethoxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-[(2-fluoro-2-methylcyclopropyl)methoxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(3-methoxypropoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-methyl-3-methylsulfonyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxan-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-phenylmethoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine

N-(3-cyclopentyloxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-(cyclopropylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-ethoxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-[(2-fluoro-2-methylcyclopropyl)methoxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(3-methoxypropoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-methyl-3-methylsulfonyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxan-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-phenylmethoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine (PubChem CID 161453958) has the molecular formula C211H215FN62O16S2 and a molecular weight of 3958.59 g/mol. Its IUPAC name is N-(3-cyclopentyloxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-(cyclopropylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-ethoxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-[(2-fluoro-2-methylcyclopropyl)methoxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(3-methoxypropoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-methyl-3-methylsulfonyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxan-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-phenylmethoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine.

Molecular Properties

Compound NameN-(3-cyclopentyloxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-(cyclopropylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-ethoxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-[(2-fluoro-2-methylcyclopropyl)methoxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(3-methoxypropoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-methyl-3-methylsulfonyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxan-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-phenylmethoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
PubChem CID161453958
Molecular FormulaC211H215FN62O16S2
Molecular Weight3958.59 g/mol
Exact Mass3955.73
IUPAC NameN-(3-cyclopentyloxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-(cyclopropylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-ethoxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-[(2-fluoro-2-methylcyclopropyl)methoxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(3-methoxypropoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-methyl-3-methylsulfonyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxan-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-phenylmethoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
SMILESC=S1(=O)CCC(Oc2nn(C)c3cc(Nc4n[nH]c5cccnc45)ccc23)CC1.CCOc1nn(C)c2cc(NC3=NCc4cccnc43)ccc12.CN1CCC(Oc2nn(C)c3cc(Nc4n[nH]c5cccnc45)ccc23)CC1.COCCCOc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12.Cc1cc(COc2nn(C)c3cc(NC4=NCc5cccnc54)ccc23)no1.Cn1nc(OC2CCCC2)c2ccc(Nc3n[nH]c4cccnc34)cc21.Cn1nc(OCC2CC2(C)F)c2ccc(Nc3n[nH]c4cccnc34)cc21.Cn1nc(OCC2CC2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OCC2CCCCO2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OCc2ccccc2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(S(C)(=O)=O)c2ccc(NC3=NCc4cccnc43)cc21
InChIInChI=1S/C22H19N5O.C21H23N5O2.C20H23N7O.C20H22N6O2S.C20H18N6O2.C19H19FN6O.C19H20N6O.C19H19N5O.C18H20N6O2.C17H17N5O.C16H15N5O2S/c1-27-19-12-17(25-21-20-16(13-24-21)8-5-11-23-20)9-10-18(19)22(26-27)28-14-15-6-3-2-4-7-15;1-26-18-11-15(24-20-19-14(12-23-20)5-4-9-22-19)7-8-17(18)21(25-26)28-13-16-6-2-3-10-27-16;1-26-10-7-14(8-11-26)28-20-15-6-5-13(12-17(15)27(2)25-20)22-19-18-16(23-24-19)4-3-9-21-18;1-26-17-12-13(22-19-18-16(23-24-19)4-3-9-21-18)5-6-15(17)20(25-26)28-14-7-10-29(2,27)11-8-14;1-12-8-15(25-28-12)11-27-20-16-6-5-14(9-17(16)26(2)24-20)23-19-18-13(10-22-19)4-3-7-21-18;1-19(20)9-11(19)10-27-18-13-6-5-12(8-15(13)26(2)25-18)22-17-16-14(23-24-17)4-3-7-21-16;1-25-16-11-12(21-18-17-15(22-23-18)7-4-10-20-17)8-9-14(16)19(24-25)26-13-5-2-3-6-13;1-24-16-9-14(22-18-17-13(10-21-18)3-2-8-20-17)6-7-15(16)19(23-24)25-11-12-4-5-12;1-24-15-11-12(20-17-16-14(21-22-17)5-3-8-19-16)6-7-13(15)18(23-24)26-10-4-9-25-2;1-3-23-17-13-7-6-12(9-14(13)22(2)21-17)20-16-15-11(10-19-16)5-4-8-18-15;1-21-13-8-11(5-6-12(13)16(20-21)24(2,22)23)19-15-14-10(9-18-15)4-3-7-17-14/h2-12H,13-14H2,1H3,(H,24,25);4-5,7-9,11,16H,2-3,6,10,12-13H2,1H3,(H,23,24);3-6,9,12,14H,7-8,10-11H2,1-2H3,(H2,22,23,24);3-6,9,12,14H,2,7-8,10-11H2,1H3,(H2,22,23,24);3-9H,10-11H2,1-2H3,(H,22,23);3-8,11H,9-10H2,1-2H3,(H2,22,23,24);4,7-11,13H,2-3,5-6H2,1H3,(H2,21,22,23);2-3,6-9,12H,4-5,10-11H2,1H3,(H,21,22);3,5-8,11H,4,9-10H2,1-2H3,(H2,20,21,22);4-9H,3,10H2,1-2H3,(H,19,20);3-8H,9H2,1-2H3,(H,18,19)
InChIKeyWAXCBZWOTSWDGV-UHFFFAOYSA-N
XLogP34.57
TPSA878.94 Ų
H-Bond Donors16
H-Bond Acceptors73
Rotatable Bonds45
Heavy Atoms292
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003958.59
LogP ≤ 534.57
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1073

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-(3-cyclopentyloxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-(cyclopropylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-ethoxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-[(2-fluoro-2-methylcyclopropyl)methoxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(3-methoxypropoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-methyl-3-methylsulfonyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxan-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-phenylmethoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-(cyclopropylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-ethoxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-[(2-fluoro-2-methylcyclopropyl)methoxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(3-methoxypropoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-methyl-3-methylsulfonyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxan-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-phenylmethoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
The IUPAC name of N-(3-cyclopentyloxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-(cyclopropylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-ethoxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-[(2-fluoro-2-methylcyclopropyl)methoxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(3-methoxypropoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-methyl-3-methylsulfonyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxan-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-phenylmethoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine (CID 161453958) is N-(3-cyclopentyloxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-(cyclopropylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-ethoxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-[(2-fluoro-2-methylcyclopropyl)methoxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(3-methoxypropoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-methyl-3-methylsulfonyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxan-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-phenylmethoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine.
What is the SMILES notation for N-(3-cyclopentyloxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-(cyclopropylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-ethoxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-[(2-fluoro-2-methylcyclopropyl)methoxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(3-methoxypropoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-methyl-3-methylsulfonyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxan-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-phenylmethoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
The canonical SMILES for N-(3-cyclopentyloxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-(cyclopropylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-ethoxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-[(2-fluoro-2-methylcyclopropyl)methoxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(3-methoxypropoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-methyl-3-methylsulfonyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxan-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-phenylmethoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine is C=S1(=O)CCC(Oc2nn(C)c3cc(Nc4n[nH]c5cccnc45)ccc23)CC1.CCOc1nn(C)c2cc(NC3=NCc4cccnc43)ccc12.CN1CCC(Oc2nn(C)c3cc(Nc4n[nH]c5cccnc45)ccc23)CC1.COCCCOc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12.Cc1cc(COc2nn(C)c3cc(NC4=NCc5cccnc54)ccc23)no1.Cn1nc(OC2CCCC2)c2ccc(Nc3n[nH]c4cccnc34)cc21.Cn1nc(OCC2CC2(C)F)c2ccc(Nc3n[nH]c4cccnc34)cc21.Cn1nc(OCC2CC2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OCC2CCCCO2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(OCc2ccccc2)c2ccc(NC3=NCc4cccnc43)cc21.Cn1nc(S(C)(=O)=O)c2ccc(NC3=NCc4cccnc43)cc21.
What is the InChIKey of N-(3-cyclopentyloxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-(cyclopropylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-ethoxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-[(2-fluoro-2-methylcyclopropyl)methoxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(3-methoxypropoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-methyl-3-methylsulfonyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxan-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-phenylmethoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
The InChIKey is WAXCBZWOTSWDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O.C21H23N5O2.C20H23N7O.C20H22N6O2S.C20H18N6O2.C19H19FN6O.C19H20N6O.C19H19N5O.C18H20N6O2.C17H17N5O.C16H15N5O2S/c1-27-19-12-17(25-21-20-16(13-24-21)8-5-11-23-20)9-10-18(19)22(26-27)28-14-15-6-3-2-4-7-15;1-26-18-11-15(24-20-19-14(12-23-20)5-4-9-22-19)7-8-17(18)21(25-26)28-13-16-6-2-3-10-27-16;1-26-10-7-14(8-11-26)28-20-15-6-5-13(12-17(15)27(2)25-20)22-19-18-16(23-24-19)4-3-9-21-18;1-26-17-12-13(22-19-18-16(23-24-19)4-3-9-21-18)5-6-15(17)20(25-26)28-14-7-10-29(2,27)11-8-14;1-12-8-15(25-28-12)11-27-20-16-6-5-14(9-17(16)26(2)24-20)23-19-18-13(10-22-19)4-3-7-21-18;1-19(20)9-11(19)10-27-18-13-6-5-12(8-15(13)26(2)25-18)22-17-16-14(23-24-17)4-3-7-21-16;1-25-16-11-12(21-18-17-15(22-23-18)7-4-10-20-17)8-9-14(16)19(24-25)26-13-5-2-3-6-13;1-24-16-9-14(22-18-17-13(10-21-18)3-2-8-20-17)6-7-15(16)19(23-24)25-11-12-4-5-12;1-24-15-11-12(20-17-16-14(21-22-17)5-3-8-19-16)6-7-13(15)18(23-24)26-10-4-9-25-2;1-3-23-17-13-7-6-12(9-14(13)22(2)21-17)20-16-15-11(10-19-16)5-4-8-18-15;1-21-13-8-11(5-6-12(13)16(20-21)24(2,22)23)19-15-14-10(9-18-15)4-3-7-17-14/h2-12H,13-14H2,1H3,(H,24,25);4-5,7-9,11,16H,2-3,6,10,12-13H2,1H3,(H,23,24);3-6,9,12,14H,7-8,10-11H2,1-2H3,(H2,22,23,24);3-6,9,12,14H,2,7-8,10-11H2,1H3,(H2,22,23,24);3-9H,10-11H2,1-2H3,(H,22,23);3-8,11H,9-10H2,1-2H3,(H2,22,23,24);4,7-11,13H,2-3,5-6H2,1H3,(H2,21,22,23);2-3,6-9,12H,4-5,10-11H2,1H3,(H,21,22);3,5-8,11H,4,9-10H2,1-2H3,(H2,20,21,22);4-9H,3,10H2,1-2H3,(H,19,20);3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of N-(3-cyclopentyloxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-(cyclopropylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-ethoxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-[(2-fluoro-2-methylcyclopropyl)methoxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(3-methoxypropoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-methyl-3-methylsulfonyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxan-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-phenylmethoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine?
N-(3-cyclopentyloxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-(cyclopropylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-ethoxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-[(2-fluoro-2-methylcyclopropyl)methoxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(3-methoxypropoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-methyl-3-methylsulfonyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxan-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-phenylmethoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine has a molecular weight of 3958.59 g/mol, XLogP of 34.57, 45 rotatable bonds, 16 hydrogen bond donors, and 73 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-(cyclopropylmethoxy)-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;3-ethoxy-1-methyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[3-[(2-fluoro-2-methylcyclopropyl)methoxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(3-methoxypropoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(1-methylidene-1-oxothian-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;N-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-methyl-3-methylsulfonyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-(oxan-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine;1-methyl-3-phenylmethoxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine is sourced from PubChem (CID 161453958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).