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

C17H21N9 — CID 155928385

IUPAC4-amino-7-methyl-2-[(1-methylpyrazol-4-yl)amino]-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESC[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cnn(C)c3)nc2n1C
InChIInChI=1S/C17H21N9/c1-10-5-4-6-26(10)16-12(7-18)13-14(19)22-17(23-15(13)25(16)3)21-11-8-20-24(2)9-11/h8-10H,4-6H2,1-3H3,(H3,19,21,22,23)/t10-/m1/s1
InChIKeyQQIQPTYOVZSTDB-SNVBAGLBSA-N
MW351.42 g/mol
LogP1.89
Rot. Bonds3

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

4-amino-7-methyl-2-[(1-methylpyrazol-4-yl)amino]-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 155928385) has the molecular formula C17H21N9 and a molecular weight of 351.42 g/mol. Its IUPAC name is 4-amino-7-methyl-2-[(1-methylpyrazol-4-yl)amino]-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-7-methyl-2-[(1-methylpyrazol-4-yl)amino]-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID155928385
Molecular FormulaC17H21N9
Molecular Weight351.42 g/mol
Exact Mass351.19
IUPAC Name4-amino-7-methyl-2-[(1-methylpyrazol-4-yl)amino]-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESC[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cnn(C)c3)nc2n1C
InChIInChI=1S/C17H21N9/c1-10-5-4-6-26(10)16-12(7-18)13-14(19)22-17(23-15(13)25(16)3)21-11-8-20-24(2)9-11/h8-10H,4-6H2,1-3H3,(H3,19,21,22,23)/t10-/m1/s1
InChIKeyQQIQPTYOVZSTDB-SNVBAGLBSA-N
XLogP1.89
TPSA113.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-methyl-2-[(1-methylpyrazol-4-yl)amino]-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-7-methyl-2-[(1-methylpyrazol-4-yl)amino]-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 155928385) is 4-amino-7-methyl-2-[(1-methylpyrazol-4-yl)amino]-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-7-methyl-2-[(1-methylpyrazol-4-yl)amino]-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-7-methyl-2-[(1-methylpyrazol-4-yl)amino]-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile is C[C@@H]1CCCN1c1c(C#N)c2c(N)nc(Nc3cnn(C)c3)nc2n1C.
What is the InChIKey of 4-amino-7-methyl-2-[(1-methylpyrazol-4-yl)amino]-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is QQIQPTYOVZSTDB-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H21N9/c1-10-5-4-6-26(10)16-12(7-18)13-14(19)22-17(23-15(13)25(16)3)21-11-8-20-24(2)9-11/h8-10H,4-6H2,1-3H3,(H3,19,21,22,23)/t10-/m1/s1.
What are the key properties of 4-amino-7-methyl-2-[(1-methylpyrazol-4-yl)amino]-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
4-amino-7-methyl-2-[(1-methylpyrazol-4-yl)amino]-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 351.42 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-methyl-2-[(1-methylpyrazol-4-yl)amino]-6-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 155928385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).