[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]-pyrrolidin-1-ylmethanone

C19H19N7O — CID 134198072

IUPAC[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCn1nc(C(=O)N2CCCC2)c2ccc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C19H19N7O/c1-25-15-11-12(21-18-17-14(22-23-18)5-4-8-20-17)6-7-13(15)16(24-25)19(27)26-9-2-3-10-26/h4-8,11H,2-3,9-10H2,1H3,(H2,21,22,23)
InChIKeyLOYPQZVPOZXXGP-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.82
Rot. Bonds3

About [1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]-pyrrolidin-1-ylmethanone

[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 134198072) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is [1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID134198072
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESCn1nc(C(=O)N2CCCC2)c2ccc(Nc3n[nH]c4cccnc34)cc21
InChIInChI=1S/C19H19N7O/c1-25-15-11-12(21-18-17-14(22-23-18)5-4-8-20-17)6-7-13(15)16(24-25)19(27)26-9-2-3-10-26/h4-8,11H,2-3,9-10H2,1H3,(H2,21,22,23)
InChIKeyLOYPQZVPOZXXGP-UHFFFAOYSA-N
XLogP2.82
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Pimitespib
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N,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-pyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide
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2-(4-fluorophenyl)-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]ethanone
CID 53326206
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1-methyl-4-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 67387865
N-[4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)triazol-1-yl]benzamide
CID 71449993
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)triazol-1-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of [1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]-pyrrolidin-1-ylmethanone (CID 134198072) is [1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]-pyrrolidin-1-ylmethanone is Cn1nc(C(=O)N2CCCC2)c2ccc(Nc3n[nH]c4cccnc34)cc21.
What is the InChIKey of [1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is LOYPQZVPOZXXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-25-15-11-12(21-18-17-14(22-23-18)5-4-8-20-17)6-7-13(15)16(24-25)19(27)26-9-2-3-10-26/h4-8,11H,2-3,9-10H2,1H3,(H2,21,22,23).
What are the key properties of [1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]-pyrrolidin-1-ylmethanone?
[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 361.41 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134198072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).