4-amino-1-methyl-6-[(1-methylpyrazol-4-yl)amino]-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile

C18H22N8 — CID 166627345

IUPAC4-amino-1-methyl-6-[(1-methylpyrazol-4-yl)amino]-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile
SMILESC[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cnn(C)c3)cc2n1C
InChIInChI=1S/C18H22N8/c1-11-5-4-6-26(11)18-13(8-19)16-14(25(18)3)7-15(23-17(16)20)22-12-9-21-24(2)10-12/h7,9-11H,4-6H2,1-3H3,(H3,20,22,23)/t11-/m1/s1
InChIKeyYTMJWWPAAUFXTD-LLVKDONJSA-N
MW350.43 g/mol
LogP2.49
Rot. Bonds3

About 4-amino-1-methyl-6-[(1-methylpyrazol-4-yl)amino]-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile

4-amino-1-methyl-6-[(1-methylpyrazol-4-yl)amino]-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile (PubChem CID 166627345) has the molecular formula C18H22N8 and a molecular weight of 350.43 g/mol. Its IUPAC name is 4-amino-1-methyl-6-[(1-methylpyrazol-4-yl)amino]-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-1-methyl-6-[(1-methylpyrazol-4-yl)amino]-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile
PubChem CID166627345
Molecular FormulaC18H22N8
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC Name4-amino-1-methyl-6-[(1-methylpyrazol-4-yl)amino]-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile
SMILESC[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cnn(C)c3)cc2n1C
InChIInChI=1S/C18H22N8/c1-11-5-4-6-26(11)18-13(8-19)16-14(25(18)3)7-15(23-17(16)20)22-12-9-21-24(2)10-12/h7,9-11H,4-6H2,1-3H3,(H3,20,22,23)/t11-/m1/s1
InChIKeyYTMJWWPAAUFXTD-LLVKDONJSA-N
XLogP2.49
TPSA100.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Savolitinib
CID 68289010
4-amino-2-[(1,3-dimethyl-1H-pyrazol-4-yl)amino]-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 155928386
5-Fluoranyl-2-[5-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]benzenecarbonitrile
CID 89720345
(3S)-1-[3-methyl-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-3-amine
CID 71253383
5-(1-ethylpyrazol-4-yl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253671
5-(1-methyl-1H-pyrazol-4-yl)-3-(6-(piperazin-1-yl)pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253734
(S)-1-(6-(5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)piperidin-3-amine
CID 71253771
(R)-1-(6-(5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)piperidin-3-amine
CID 71253835
(R)-1-(6-(5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)pyrrolidin-3-amine
CID 71253906
5-(1-ethylpyrazol-4-yl)-3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 71253958
2-[4-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrazol-1-yl]acetonitrile
CID 71254188
1-cyclopentyl-3-(H-imidazo[1,2-a]pyridin-7-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905148

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-6-[(1-methylpyrazol-4-yl)amino]-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 4-amino-1-methyl-6-[(1-methylpyrazol-4-yl)amino]-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile (CID 166627345) is 4-amino-1-methyl-6-[(1-methylpyrazol-4-yl)amino]-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-1-methyl-6-[(1-methylpyrazol-4-yl)amino]-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 4-amino-1-methyl-6-[(1-methylpyrazol-4-yl)amino]-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile is C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cnn(C)c3)cc2n1C.
What is the InChIKey of 4-amino-1-methyl-6-[(1-methylpyrazol-4-yl)amino]-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile?
The InChIKey is YTMJWWPAAUFXTD-LLVKDONJSA-N. The full InChI is InChI=1S/C18H22N8/c1-11-5-4-6-26(11)18-13(8-19)16-14(25(18)3)7-15(23-17(16)20)22-12-9-21-24(2)10-12/h7,9-11H,4-6H2,1-3H3,(H3,20,22,23)/t11-/m1/s1.
What are the key properties of 4-amino-1-methyl-6-[(1-methylpyrazol-4-yl)amino]-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile?
4-amino-1-methyl-6-[(1-methylpyrazol-4-yl)amino]-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile has a molecular weight of 350.43 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-6-[(1-methylpyrazol-4-yl)amino]-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 166627345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).