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

C18H22N8 — CID 166630573

IUPAC4-amino-1-methyl-6-[(1-methylpyrazol-3-yl)amino]-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile
SMILESC[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3ccn(C)n3)cc2n1C
InChIInChI=1S/C18H22N8/c1-11-5-4-7-26(11)18-12(10-19)16-13(25(18)3)9-15(22-17(16)20)21-14-6-8-24(2)23-14/h6,8-9,11H,4-5,7H2,1-3H3,(H3,20,21,22,23)/t11-/m1/s1
InChIKeyAHGYJAJOWBWPKC-LLVKDONJSA-N
MW350.43 g/mol
LogP2.49
Rot. Bonds3

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

4-amino-1-methyl-6-[(1-methylpyrazol-3-yl)amino]-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile (PubChem CID 166630573) 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-3-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-3-yl)amino]-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile
PubChem CID166630573
Molecular FormulaC18H22N8
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC Name4-amino-1-methyl-6-[(1-methylpyrazol-3-yl)amino]-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile
SMILESC[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3ccn(C)n3)cc2n1C
InChIInChI=1S/C18H22N8/c1-11-5-4-7-26(11)18-12(10-19)16-13(25(18)3)9-15(22-17(16)20)21-14-6-8-24(2)23-14/h6,8-9,11H,4-5,7H2,1-3H3,(H3,20,21,22,23)/t11-/m1/s1
InChIKeyAHGYJAJOWBWPKC-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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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-6-[(1-methylpyrazol-3-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-3-yl)amino]-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile (CID 166630573) is 4-amino-1-methyl-6-[(1-methylpyrazol-3-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-3-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-3-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(Nc3ccn(C)n3)cc2n1C.
What is the InChIKey of 4-amino-1-methyl-6-[(1-methylpyrazol-3-yl)amino]-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile?
The InChIKey is AHGYJAJOWBWPKC-LLVKDONJSA-N. The full InChI is InChI=1S/C18H22N8/c1-11-5-4-7-26(11)18-12(10-19)16-13(25(18)3)9-15(22-17(16)20)21-14-6-8-24(2)23-14/h6,8-9,11H,4-5,7H2,1-3H3,(H3,20,21,22,23)/t11-/m1/s1.
What are the key properties of 4-amino-1-methyl-6-[(1-methylpyrazol-3-yl)amino]-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile?
4-amino-1-methyl-6-[(1-methylpyrazol-3-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-3-yl)amino]-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 166630573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).