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

C19H24N8 — CID 166625233

IUPAC4-amino-6-[(1,4-dimethylpyrazol-3-yl)amino]-1-methyl-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile
SMILESCc1cn(C)nc1Nc1cc2c(c(N)n1)c(C#N)c(N1CCC[C@H]1C)n2C
InChIInChI=1S/C19H24N8/c1-11-10-25(3)24-18(11)23-15-8-14-16(17(21)22-15)13(9-20)19(26(14)4)27-7-5-6-12(27)2/h8,10,12H,5-7H2,1-4H3,(H3,21,22,23,24)/t12-/m1/s1
InChIKeyPQAGIORTHSTASZ-GFCCVEGCSA-N
MW364.46 g/mol
LogP2.80
Rot. Bonds3

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

4-amino-6-[(1,4-dimethylpyrazol-3-yl)amino]-1-methyl-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile (PubChem CID 166625233) has the molecular formula C19H24N8 and a molecular weight of 364.46 g/mol. Its IUPAC name is 4-amino-6-[(1,4-dimethylpyrazol-3-yl)amino]-1-methyl-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[(1,4-dimethylpyrazol-3-yl)amino]-1-methyl-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile
PubChem CID166625233
Molecular FormulaC19H24N8
Molecular Weight364.46 g/mol
Exact Mass364.21
IUPAC Name4-amino-6-[(1,4-dimethylpyrazol-3-yl)amino]-1-methyl-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile
SMILESCc1cn(C)nc1Nc1cc2c(c(N)n1)c(C#N)c(N1CCC[C@H]1C)n2C
InChIInChI=1S/C19H24N8/c1-11-10-25(3)24-18(11)23-15-8-14-16(17(21)22-15)13(9-20)19(26(14)4)27-7-5-6-12(27)2/h8,10,12H,5-7H2,1-4H3,(H3,21,22,23,24)/t12-/m1/s1
InChIKeyPQAGIORTHSTASZ-GFCCVEGCSA-N
XLogP2.80
TPSA100.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[(1,4-dimethylpyrazol-3-yl)amino]-1-methyl-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 4-amino-6-[(1,4-dimethylpyrazol-3-yl)amino]-1-methyl-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile (CID 166625233) is 4-amino-6-[(1,4-dimethylpyrazol-3-yl)amino]-1-methyl-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-6-[(1,4-dimethylpyrazol-3-yl)amino]-1-methyl-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 4-amino-6-[(1,4-dimethylpyrazol-3-yl)amino]-1-methyl-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile is Cc1cn(C)nc1Nc1cc2c(c(N)n1)c(C#N)c(N1CCC[C@H]1C)n2C.
What is the InChIKey of 4-amino-6-[(1,4-dimethylpyrazol-3-yl)amino]-1-methyl-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile?
The InChIKey is PQAGIORTHSTASZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H24N8/c1-11-10-25(3)24-18(11)23-15-8-14-16(17(21)22-15)13(9-20)19(26(14)4)27-7-5-6-12(27)2/h8,10,12H,5-7H2,1-4H3,(H3,21,22,23,24)/t12-/m1/s1.
What are the key properties of 4-amino-6-[(1,4-dimethylpyrazol-3-yl)amino]-1-methyl-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile?
4-amino-6-[(1,4-dimethylpyrazol-3-yl)amino]-1-methyl-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile has a molecular weight of 364.46 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[(1,4-dimethylpyrazol-3-yl)amino]-1-methyl-2-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 166625233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).