(2R)-N-[6-amino-5-cyano-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide

C20H21N7O2 — CID 170638037

IUPAC(2R)-N-[6-amino-5-cyano-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C#N)c2cnc(NC(=O)[C@H]3CCCN3)nc21
InChIInChI=1S/C20H21N7O2/c1-10-5-6-15(28)11(2)16(10)27-17(22)12(8-21)13-9-24-20(25-18(13)27)26-19(29)14-4-3-7-23-14/h5-6,9,14,23,28H,3-4,7,22H2,1-2H3,(H,24,25,26,29)/t14-/m1/s1
InChIKeyFZJICPYCTTZMMU-CQSZACIVSA-N
MW391.44 g/mol
LogP1.89
Rot. Bonds3

About (2R)-N-[6-amino-5-cyano-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide

(2R)-N-[6-amino-5-cyano-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide (PubChem CID 170638037) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is (2R)-N-[6-amino-5-cyano-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[6-amino-5-cyano-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
PubChem CID170638037
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC Name(2R)-N-[6-amino-5-cyano-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C#N)c2cnc(NC(=O)[C@H]3CCCN3)nc21
InChIInChI=1S/C20H21N7O2/c1-10-5-6-15(28)11(2)16(10)27-17(22)12(8-21)13-9-24-20(25-18(13)27)26-19(29)14-4-3-7-23-14/h5-6,9,14,23,28H,3-4,7,22H2,1-2H3,(H,24,25,26,29)/t14-/m1/s1
InChIKeyFZJICPYCTTZMMU-CQSZACIVSA-N
XLogP1.89
TPSA141.88 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 51.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(3-cyano-4,6-dimethyl-2-pyridinyl)-4-hydroxy-2,3-dimethylphenyl]pyrrolidine-2-carboxamide
CID 165157829
CID 88938252
CID 88938252
N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 43710389
(2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261902
(2S)-N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 61179515
N-(4-hydroxy-2,3,5-trimethylphenyl)pyrrolidine-2-carboxamide
CID 89036511
N-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide
CID 79602150
(2R)-N-(3-methoxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 113263992
N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 18072813
N-(2,3,6-trimethylphenyl)piperidine-2-carboxamide
CID 155036949
(2R)-N-(3-hydroxy-4-methylphenyl)piperidine-2-carboxamide
CID 107701571
(2S)-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 63327750

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[6-amino-5-cyano-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[6-amino-5-cyano-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide (CID 170638037) is (2R)-N-[6-amino-5-cyano-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[6-amino-5-cyano-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[6-amino-5-cyano-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide is Cc1ccc(O)c(C)c1-n1c(N)c(C#N)c2cnc(NC(=O)[C@H]3CCCN3)nc21.
What is the InChIKey of (2R)-N-[6-amino-5-cyano-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is FZJICPYCTTZMMU-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21N7O2/c1-10-5-6-15(28)11(2)16(10)27-17(22)12(8-21)13-9-24-20(25-18(13)27)26-19(29)14-4-3-7-23-14/h5-6,9,14,23,28H,3-4,7,22H2,1-2H3,(H,24,25,26,29)/t14-/m1/s1.
What are the key properties of (2R)-N-[6-amino-5-cyano-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide?
(2R)-N-[6-amino-5-cyano-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 391.44 g/mol, XLogP of 1.89, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[6-amino-5-cyano-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 170638037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).