(2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidine-2-carboxamide

C19H19N9O — CID 118619999

IUPAC(2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidine-2-carboxamide
SMILESCn1cc(Nc2nccc(-c3cnc(N4CCC[C@@H]4C(N)=O)c(C#N)c3)n2)cn1
InChIInChI=1S/C19H19N9O/c1-27-11-14(10-24-27)25-19-22-5-4-15(26-19)13-7-12(8-20)18(23-9-13)28-6-2-3-16(28)17(21)29/h4-5,7,9-11,16H,2-3,6H2,1H3,(H2,21,29)(H,22,25,26)/t16-/m1/s1
InChIKeyCHSLBFLJIKSYFU-MRXNPFEDSA-N
MW389.42 g/mol
LogP1.34
Rot. Bonds5

About (2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidine-2-carboxamide

(2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidine-2-carboxamide (PubChem CID 118619999) has the molecular formula C19H19N9O and a molecular weight of 389.42 g/mol. Its IUPAC name is (2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidine-2-carboxamide
PubChem CID118619999
Molecular FormulaC19H19N9O
Molecular Weight389.42 g/mol
Exact Mass389.17
IUPAC Name(2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidine-2-carboxamide
SMILESCn1cc(Nc2nccc(-c3cnc(N4CCC[C@@H]4C(N)=O)c(C#N)c3)n2)cn1
InChIInChI=1S/C19H19N9O/c1-27-11-14(10-24-27)25-19-22-5-4-15(26-19)13-7-12(8-20)18(23-9-13)28-6-2-3-16(28)17(21)29/h4-5,7,9-11,16H,2-3,6H2,1H3,(H2,21,29)(H,22,25,26)/t16-/m1/s1
InChIKeyCHSLBFLJIKSYFU-MRXNPFEDSA-N
XLogP1.34
TPSA138.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

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CID 86303027
Trk Inhibitor C11
CID 90645511
1,1,5'-Trimethyl-2'-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]spiro[cyclohexane-4,7'-pyrrolo[3,2-d]pyrimidine]-6'-one
CID 167362923
N-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolo[3,2-b]pyridin-6-yl]acetamide
CID 70684312
Vustanaciclib
CID 155282305
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-3-yl)pyrimidin-4-yl]acetamide
CID 25138073
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-4-yl)pyrimidin-4-yl]acetamide
CID 25138074
4-Azanyl-6-[[(1~{s})-1-(4-Oxidanylidene-3-Phenyl-Pyrrolo[2,1-F][1,2,4]triazin-2-Yl)ethyl]amino]pyrimidine-5-Carbonitrile
CID 70674592
(2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(5-phenyl-2-pyridinyl)propanamide
CID 122234475
4-amino-6-[[(1S)-1-(5-methyl-4-oxo-3-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 134133218
4-[[4-(4-Acetylpiperazin-1-yl)cyclohexyl]amino]-2-[(1-methylpyrazol-4-yl)amino]quinazoline-6-carbonitrile
CID 155549965
4-{5-[(2-Oxo-1-pyridin-4-yl-pyrrolidin-3-ylamino)-methyl]-imidazol-1-ylmethyl}-benzonitrile
CID 9842436

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidine-2-carboxamide (CID 118619999) is (2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidine-2-carboxamide is Cn1cc(Nc2nccc(-c3cnc(N4CCC[C@@H]4C(N)=O)c(C#N)c3)n2)cn1.
What is the InChIKey of (2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidine-2-carboxamide?
The InChIKey is CHSLBFLJIKSYFU-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19N9O/c1-27-11-14(10-24-27)25-19-22-5-4-15(26-19)13-7-12(8-20)18(23-9-13)28-6-2-3-16(28)17(21)29/h4-5,7,9-11,16H,2-3,6H2,1H3,(H2,21,29)(H,22,25,26)/t16-/m1/s1.
What are the key properties of (2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidine-2-carboxamide?
(2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidine-2-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-cyano-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 118619999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).