N-[4-chloro-3-[(5-ethynyl-2-pyridinyl)oxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(4-chloro-3-methoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[4-chloro-1-methyl-3-(2-piperidin-1-ylethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(2-methoxyethoxy)-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(oxetan-3-ylmethoxy)indol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

C94H89Cl3N30O7 — CID 167551332

IUPACN-[4-chloro-3-[(5-ethynyl-2-pyridinyl)oxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(4-chloro-3-methoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[4-chloro-1-methyl-3-(2-piperidin-1-ylethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(2-methoxyethoxy)-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(oxetan-3-ylmethoxy)indol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESC#Cc1ccc(Oc2nn(C)c3cc(Nc4n[nH]c5cccnc45)cc(Cl)c23)nc1.COCCOc1cn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12.COc1nn(C)c2cc(Nc3n[nH]c4cccnc34)cc(Cl)c12.Cn1cc(OCC2COC2)c2ccc(Nc3n[nH]c4cccnc34)cc21.Cn1nc(OCCN2CCCCC2)c2c(Cl)cc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C21H24ClN7O.C21H14ClN7O.C19H19N5O2.C18H19N5O2.C15H13ClN6O/c1-28-17-13-14(24-20-19-16(25-26-20)6-5-7-23-19)12-15(22)18(17)21(27-28)30-11-10-29-8-3-2-4-9-29;1-3-12-6-7-17(24-11-12)30-21-18-14(22)9-13(10-16(18)29(2)28-21)25-20-19-15(26-27-20)5-4-8-23-19;1-24-8-17(26-11-12-9-25-10-12)14-5-4-13(7-16(14)24)21-19-18-15(22-23-19)3-2-6-20-18;1-23-11-16(25-9-8-24-2)13-6-5-12(10-15(13)23)20-18-17-14(21-22-18)4-3-7-19-17;1-22-11-7-8(6-9(16)12(11)15(21-22)23-2)18-14-13-10(19-20-14)4-3-5-17-13/h5-7,12-13H,2-4,8-11H2,1H3,(H2,24,25,26);1,4-11H,2H3,(H2,25,26,27);2-8,12H,9-11H2,1H3,(H2,21,22,23);3-7,10-11H,8-9H2,1-2H3,(H2,20,21,22);3-7H,1-2H3,(H2,18,19,20)
InChIKeyCLCGDZAABCCPID-UHFFFAOYSA-N
MW1857.31 g/mol
LogP18.20
Rot. Bonds24

About N-[4-chloro-3-[(5-ethynyl-2-pyridinyl)oxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(4-chloro-3-methoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[4-chloro-1-methyl-3-(2-piperidin-1-ylethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(2-methoxyethoxy)-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(oxetan-3-ylmethoxy)indol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

N-[4-chloro-3-[(5-ethynyl-2-pyridinyl)oxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(4-chloro-3-methoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[4-chloro-1-methyl-3-(2-piperidin-1-ylethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(2-methoxyethoxy)-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(oxetan-3-ylmethoxy)indol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 167551332) has the molecular formula C94H89Cl3N30O7 and a molecular weight of 1857.31 g/mol. Its IUPAC name is N-[4-chloro-3-[(5-ethynyl-2-pyridinyl)oxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(4-chloro-3-methoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[4-chloro-1-methyl-3-(2-piperidin-1-ylethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(2-methoxyethoxy)-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(oxetan-3-ylmethoxy)indol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[4-chloro-3-[(5-ethynyl-2-pyridinyl)oxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(4-chloro-3-methoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[4-chloro-1-methyl-3-(2-piperidin-1-ylethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(2-methoxyethoxy)-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(oxetan-3-ylmethoxy)indol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID167551332
Molecular FormulaC94H89Cl3N30O7
Molecular Weight1857.31 g/mol
Exact Mass1854.66
IUPAC NameN-[4-chloro-3-[(5-ethynyl-2-pyridinyl)oxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(4-chloro-3-methoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[4-chloro-1-methyl-3-(2-piperidin-1-ylethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(2-methoxyethoxy)-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(oxetan-3-ylmethoxy)indol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESC#Cc1ccc(Oc2nn(C)c3cc(Nc4n[nH]c5cccnc45)cc(Cl)c23)nc1.COCCOc1cn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12.COc1nn(C)c2cc(Nc3n[nH]c4cccnc34)cc(Cl)c12.Cn1cc(OCC2COC2)c2ccc(Nc3n[nH]c4cccnc34)cc21.Cn1nc(OCCN2CCCCC2)c2c(Cl)cc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C21H24ClN7O.C21H14ClN7O.C19H19N5O2.C18H19N5O2.C15H13ClN6O/c1-28-17-13-14(24-20-19-16(25-26-20)6-5-7-23-19)12-15(22)18(17)21(27-28)30-11-10-29-8-3-2-4-9-29;1-3-12-6-7-17(24-11-12)30-21-18-14(22)9-13(10-16(18)29(2)28-21)25-20-19-15(26-27-20)5-4-8-23-19;1-24-8-17(26-11-12-9-25-10-12)14-5-4-13(7-16(14)24)21-19-18-15(22-23-19)3-2-6-20-18;1-23-11-16(25-9-8-24-2)13-6-5-12(10-15(13)23)20-18-17-14(21-22-18)4-3-7-19-17;1-22-11-7-8(6-9(16)12(11)15(21-22)23-2)18-14-13-10(19-20-14)4-3-5-17-13/h5-7,12-13H,2-4,8-11H2,1H3,(H2,24,25,26);1,4-11H,2H3,(H2,25,26,27);2-8,12H,9-11H2,1H3,(H2,21,22,23);3-7,10-11H,8-9H2,1-2H3,(H2,20,21,22);3-7H,1-2H3,(H2,18,19,20)
InChIKeyCLCGDZAABCCPID-UHFFFAOYSA-N
XLogP18.20
TPSA412.06 Ų
H-Bond Donors10
H-Bond Acceptors32
Rotatable Bonds24
Heavy Atoms134
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001857.31
LogP ≤ 518.20
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze N-[4-chloro-3-[(5-ethynyl-2-pyridinyl)oxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(4-chloro-3-methoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[4-chloro-1-methyl-3-(2-piperidin-1-ylethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(2-methoxyethoxy)-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(oxetan-3-ylmethoxy)indol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[(5-ethynyl-2-pyridinyl)oxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(4-chloro-3-methoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[4-chloro-1-methyl-3-(2-piperidin-1-ylethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(2-methoxyethoxy)-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(oxetan-3-ylmethoxy)indol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-[4-chloro-3-[(5-ethynyl-2-pyridinyl)oxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(4-chloro-3-methoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[4-chloro-1-methyl-3-(2-piperidin-1-ylethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(2-methoxyethoxy)-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(oxetan-3-ylmethoxy)indol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 167551332) is N-[4-chloro-3-[(5-ethynyl-2-pyridinyl)oxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(4-chloro-3-methoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[4-chloro-1-methyl-3-(2-piperidin-1-ylethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(2-methoxyethoxy)-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(oxetan-3-ylmethoxy)indol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-[4-chloro-3-[(5-ethynyl-2-pyridinyl)oxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(4-chloro-3-methoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[4-chloro-1-methyl-3-(2-piperidin-1-ylethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(2-methoxyethoxy)-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(oxetan-3-ylmethoxy)indol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-[4-chloro-3-[(5-ethynyl-2-pyridinyl)oxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(4-chloro-3-methoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[4-chloro-1-methyl-3-(2-piperidin-1-ylethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(2-methoxyethoxy)-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(oxetan-3-ylmethoxy)indol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is C#Cc1ccc(Oc2nn(C)c3cc(Nc4n[nH]c5cccnc45)cc(Cl)c23)nc1.COCCOc1cn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12.COc1nn(C)c2cc(Nc3n[nH]c4cccnc34)cc(Cl)c12.Cn1cc(OCC2COC2)c2ccc(Nc3n[nH]c4cccnc34)cc21.Cn1nc(OCCN2CCCCC2)c2c(Cl)cc(Nc3n[nH]c4cccnc34)cc21.
What is the InChIKey of N-[4-chloro-3-[(5-ethynyl-2-pyridinyl)oxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(4-chloro-3-methoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[4-chloro-1-methyl-3-(2-piperidin-1-ylethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(2-methoxyethoxy)-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(oxetan-3-ylmethoxy)indol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is CLCGDZAABCCPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN7O.C21H14ClN7O.C19H19N5O2.C18H19N5O2.C15H13ClN6O/c1-28-17-13-14(24-20-19-16(25-26-20)6-5-7-23-19)12-15(22)18(17)21(27-28)30-11-10-29-8-3-2-4-9-29;1-3-12-6-7-17(24-11-12)30-21-18-14(22)9-13(10-16(18)29(2)28-21)25-20-19-15(26-27-20)5-4-8-23-19;1-24-8-17(26-11-12-9-25-10-12)14-5-4-13(7-16(14)24)21-19-18-15(22-23-19)3-2-6-20-18;1-23-11-16(25-9-8-24-2)13-6-5-12(10-15(13)23)20-18-17-14(21-22-18)4-3-7-19-17;1-22-11-7-8(6-9(16)12(11)15(21-22)23-2)18-14-13-10(19-20-14)4-3-5-17-13/h5-7,12-13H,2-4,8-11H2,1H3,(H2,24,25,26);1,4-11H,2H3,(H2,25,26,27);2-8,12H,9-11H2,1H3,(H2,21,22,23);3-7,10-11H,8-9H2,1-2H3,(H2,20,21,22);3-7H,1-2H3,(H2,18,19,20).
What are the key properties of N-[4-chloro-3-[(5-ethynyl-2-pyridinyl)oxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(4-chloro-3-methoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[4-chloro-1-methyl-3-(2-piperidin-1-ylethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(2-methoxyethoxy)-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(oxetan-3-ylmethoxy)indol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-[4-chloro-3-[(5-ethynyl-2-pyridinyl)oxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(4-chloro-3-methoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[4-chloro-1-methyl-3-(2-piperidin-1-ylethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(2-methoxyethoxy)-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(oxetan-3-ylmethoxy)indol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 1857.31 g/mol, XLogP of 18.20, 24 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[(5-ethynyl-2-pyridinyl)oxy]-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(4-chloro-3-methoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[4-chloro-1-methyl-3-(2-piperidin-1-ylethoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(2-methoxyethoxy)-1-methylindol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(oxetan-3-ylmethoxy)indol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 167551332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).