N-(3-butoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclopropylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1-methyl-3-phenylmethoxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1-methyl-3-propan-2-yloxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine

C111H111N37O7 — CID 167687914

IUPACN-(3-butoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclopropylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1-methyl-3-phenylmethoxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1-methyl-3-propan-2-yloxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCC(C)COc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12.CC(C)Oc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12.CCCCOc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12.Cc1cc(COc2nn(C)c3cc(Nc4n[nH]c5cccnc45)ccc23)on1.Cn1nc(OCC2CC2)c2ccc(Nc3n[nH]c4cccnc34)cc21.Cn1nc(OCc2ccccc2)c2ccc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C21H18N6O.C19H17N7O2.C18H18N6O.2C18H20N6O.C17H18N6O/c1-27-18-12-15(23-20-19-17(24-25-20)8-5-11-22-19)9-10-16(18)21(26-27)28-13-14-6-3-2-4-7-14;1-11-8-13(28-25-11)10-27-19-14-6-5-12(9-16(14)26(2)24-19)21-18-17-15(22-23-18)4-3-7-20-17;1-24-15-9-12(20-17-16-14(21-22-17)3-2-8-19-16)6-7-13(15)18(23-24)25-10-11-4-5-11;1-11(2)10-25-18-13-7-6-12(9-15(13)24(3)23-18)20-17-16-14(21-22-17)5-4-8-19-16;1-3-4-10-25-18-13-8-7-12(11-15(13)24(2)23-18)20-17-16-14(21-22-17)6-5-9-19-16;1-10(2)24-17-12-7-6-11(9-14(12)23(3)22-17)19-16-15-13(20-21-16)5-4-8-18-15/h2-12H,13H2,1H3,(H2,23,24,25);3-9H,10H2,1-2H3,(H2,21,22,23);2-3,6-9,11H,4-5,10H2,1H3,(H2,20,21,22);4-9,11H,10H2,1-3H3,(H2,20,21,22);5-9,11H,3-4,10H2,1-2H3,(H2,20,21,22);4-10H,1-3H3,(H2,19,20,21)
InChIKeyWMIBDYWTSGSOSZ-UHFFFAOYSA-N
MW2075.36 g/mol
LogP21.77
Rot. Bonds30

About N-(3-butoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclopropylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1-methyl-3-phenylmethoxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1-methyl-3-propan-2-yloxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine

N-(3-butoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclopropylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1-methyl-3-phenylmethoxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1-methyl-3-propan-2-yloxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 167687914) has the molecular formula C111H111N37O7 and a molecular weight of 2075.36 g/mol. Its IUPAC name is N-(3-butoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclopropylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1-methyl-3-phenylmethoxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1-methyl-3-propan-2-yloxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(3-butoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclopropylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1-methyl-3-phenylmethoxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1-methyl-3-propan-2-yloxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID167687914
Molecular FormulaC111H111N37O7
Molecular Weight2075.36 g/mol
Exact Mass2073.95
IUPAC NameN-(3-butoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclopropylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1-methyl-3-phenylmethoxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1-methyl-3-propan-2-yloxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCC(C)COc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12.CC(C)Oc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12.CCCCOc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12.Cc1cc(COc2nn(C)c3cc(Nc4n[nH]c5cccnc45)ccc23)on1.Cn1nc(OCC2CC2)c2ccc(Nc3n[nH]c4cccnc34)cc21.Cn1nc(OCc2ccccc2)c2ccc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C21H18N6O.C19H17N7O2.C18H18N6O.2C18H20N6O.C17H18N6O/c1-27-18-12-15(23-20-19-17(24-25-20)8-5-11-22-19)9-10-16(18)21(26-27)28-13-14-6-3-2-4-7-14;1-11-8-13(28-25-11)10-27-19-14-6-5-12(9-16(14)26(2)24-19)21-18-17-15(22-23-18)4-3-7-20-17;1-24-15-9-12(20-17-16-14(21-22-17)3-2-8-19-16)6-7-13(15)18(23-24)25-10-11-4-5-11;1-11(2)10-25-18-13-7-6-12(9-15(13)24(3)23-18)20-17-16-14(21-22-17)5-4-8-19-16;1-3-4-10-25-18-13-8-7-12(11-15(13)24(2)23-18)20-17-16-14(21-22-17)6-5-9-19-16;1-10(2)24-17-12-7-6-11(9-14(12)23(3)22-17)19-16-15-13(20-21-16)5-4-8-18-15/h2-12H,13H2,1H3,(H2,23,24,25);3-9H,10H2,1-2H3,(H2,21,22,23);2-3,6-9,11H,4-5,10H2,1H3,(H2,20,21,22);4-9,11H,10H2,1-3H3,(H2,20,21,22);5-9,11H,3-4,10H2,1-2H3,(H2,20,21,22);4-10H,1-3H3,(H2,19,20,21)
InChIKeyWMIBDYWTSGSOSZ-UHFFFAOYSA-N
XLogP21.77
TPSA509.93 Ų
H-Bond Donors12
H-Bond Acceptors38
Rotatable Bonds30
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002075.36
LogP ≤ 521.77
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze N-(3-butoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclopropylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1-methyl-3-phenylmethoxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1-methyl-3-propan-2-yloxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-butoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclopropylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1-methyl-3-phenylmethoxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1-methyl-3-propan-2-yloxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-(3-butoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclopropylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1-methyl-3-phenylmethoxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1-methyl-3-propan-2-yloxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 167687914) is N-(3-butoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclopropylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1-methyl-3-phenylmethoxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1-methyl-3-propan-2-yloxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-(3-butoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclopropylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1-methyl-3-phenylmethoxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1-methyl-3-propan-2-yloxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-(3-butoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclopropylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1-methyl-3-phenylmethoxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1-methyl-3-propan-2-yloxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine is CC(C)COc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12.CC(C)Oc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12.CCCCOc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12.Cc1cc(COc2nn(C)c3cc(Nc4n[nH]c5cccnc45)ccc23)on1.Cn1nc(OCC2CC2)c2ccc(Nc3n[nH]c4cccnc34)cc21.Cn1nc(OCc2ccccc2)c2ccc(Nc3n[nH]c4cccnc34)cc21.
What is the InChIKey of N-(3-butoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclopropylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1-methyl-3-phenylmethoxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1-methyl-3-propan-2-yloxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is WMIBDYWTSGSOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O.C19H17N7O2.C18H18N6O.2C18H20N6O.C17H18N6O/c1-27-18-12-15(23-20-19-17(24-25-20)8-5-11-22-19)9-10-16(18)21(26-27)28-13-14-6-3-2-4-7-14;1-11-8-13(28-25-11)10-27-19-14-6-5-12(9-16(14)26(2)24-19)21-18-17-15(22-23-18)4-3-7-20-17;1-24-15-9-12(20-17-16-14(21-22-17)3-2-8-19-16)6-7-13(15)18(23-24)25-10-11-4-5-11;1-11(2)10-25-18-13-7-6-12(9-15(13)24(3)23-18)20-17-16-14(21-22-17)5-4-8-19-16;1-3-4-10-25-18-13-8-7-12(11-15(13)24(2)23-18)20-17-16-14(21-22-17)6-5-9-19-16;1-10(2)24-17-12-7-6-11(9-14(12)23(3)22-17)19-16-15-13(20-21-16)5-4-8-18-15/h2-12H,13H2,1H3,(H2,23,24,25);3-9H,10H2,1-2H3,(H2,21,22,23);2-3,6-9,11H,4-5,10H2,1H3,(H2,20,21,22);4-9,11H,10H2,1-3H3,(H2,20,21,22);5-9,11H,3-4,10H2,1-2H3,(H2,20,21,22);4-10H,1-3H3,(H2,19,20,21).
What are the key properties of N-(3-butoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclopropylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1-methyl-3-phenylmethoxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1-methyl-3-propan-2-yloxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-(3-butoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclopropylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1-methyl-3-phenylmethoxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1-methyl-3-propan-2-yloxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 2075.36 g/mol, XLogP of 21.77, 30 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxy-1-methylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(cyclopropylmethoxy)-1-methylindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methoxy]indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[1-methyl-3-(2-methylpropoxy)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1-methyl-3-phenylmethoxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;N-(1-methyl-3-propan-2-yloxyindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 167687914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).