4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-2-(1H-pyrazol-4-ylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile

C16H19N9 — CID 166635463

IUPAC4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-2-(1H-pyrazol-4-ylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESC[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cn[nH]c3)nc2n1C
InChIInChI=1S/C16H19N9/c1-9-4-3-5-25(9)15-11(6-17)12-13(18)22-16(23-14(12)24(15)2)21-10-7-19-20-8-10/h7-9H,3-5H2,1-2H3,(H,19,20)(H3,18,21,22,23)/t9-/m1/s1
InChIKeyLLGXZQPPWONZHF-SECBINFHSA-N
MW337.39 g/mol
LogP1.88
Rot. Bonds3

About 4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-2-(1H-pyrazol-4-ylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile

4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-2-(1H-pyrazol-4-ylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 166635463) has the molecular formula C16H19N9 and a molecular weight of 337.39 g/mol. Its IUPAC name is 4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-2-(1H-pyrazol-4-ylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-2-(1H-pyrazol-4-ylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID166635463
Molecular FormulaC16H19N9
Molecular Weight337.39 g/mol
Exact Mass337.18
IUPAC Name4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-2-(1H-pyrazol-4-ylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESC[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cn[nH]c3)nc2n1C
InChIInChI=1S/C16H19N9/c1-9-4-3-5-25(9)15-11(6-17)12-13(18)22-16(23-14(12)24(15)2)21-10-7-19-20-8-10/h7-9H,3-5H2,1-2H3,(H,19,20)(H3,18,21,22,23)/t9-/m1/s1
InChIKeyLLGXZQPPWONZHF-SECBINFHSA-N
XLogP1.88
TPSA124.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-2-(1H-pyrazol-4-ylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)amino]-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 155928385
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
4-(cyclohexylamino)-2-[(1-methylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 155907520
4-amino-7-methyl-2-({5-methyl-1-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl}amino)-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 155928387
4-amino-7-methyl-2-({5-methyl-1-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl}amino)-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 155928388
4-amino-7-methyl-2-[(5-methyl-1H-pyrazol-4-yl)amino]-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 166630830
4-amino-7-methyl-2-[[3-methyl-1-(oxetan-3-yl)pyrazol-4-yl]amino]-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 166627236
4-amino-2-[(3-chloro-1-methylpyrazol-4-yl)amino]-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 166628563
4-amino-7-methyl-2-[[5-methyl-1-(oxetan-3-yl)pyrazol-4-yl]amino]-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 166629207
4-amino-2-[[1-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]amino]-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 166632431
4-amino-7-methyl-2-[[3-methyl-1-(oxolan-3-yl)pyrazol-4-yl]amino]-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 166633251
4-amino-2-[(1,5-dimethylpyrazol-4-yl)amino]-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 166633636

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-2-(1H-pyrazol-4-ylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-2-(1H-pyrazol-4-ylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 166635463) is 4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-2-(1H-pyrazol-4-ylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-2-(1H-pyrazol-4-ylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-2-(1H-pyrazol-4-ylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile is C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cn[nH]c3)nc2n1C.
What is the InChIKey of 4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-2-(1H-pyrazol-4-ylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is LLGXZQPPWONZHF-SECBINFHSA-N. The full InChI is InChI=1S/C16H19N9/c1-9-4-3-5-25(9)15-11(6-17)12-13(18)22-16(23-14(12)24(15)2)21-10-7-19-20-8-10/h7-9H,3-5H2,1-2H3,(H,19,20)(H3,18,21,22,23)/t9-/m1/s1.
What are the key properties of 4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-2-(1H-pyrazol-4-ylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-2-(1H-pyrazol-4-ylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 337.39 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-2-(1H-pyrazol-4-ylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 166635463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).