methane;(2R)-1-(6-phenyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide

C23H24N6O — CID 159135141

IUPACmethane;(2R)-1-(6-phenyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESC.NC(=O)[C@H]1CCCN1c1nc(-c2ccncc2)nc2[nH]c(-c3ccccc3)cc12
InChIInChI=1S/C22H20N6O.CH4/c23-19(29)18-7-4-12-28(18)22-16-13-17(14-5-2-1-3-6-14)25-21(16)26-20(27-22)15-8-10-24-11-9-15;/h1-3,5-6,8-11,13,18H,4,7,12H2,(H2,23,29)(H,25,26,27);1H4/t18-;/m1./s1
InChIKeyKHJWQKKKEHQPRV-GMUIIQOCSA-N
MW400.49 g/mol
LogP3.78
Rot. Bonds4

About methane;(2R)-1-(6-phenyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide

methane;(2R)-1-(6-phenyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 159135141) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is methane;(2R)-1-(6-phenyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Namemethane;(2R)-1-(6-phenyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
PubChem CID159135141
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Namemethane;(2R)-1-(6-phenyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESC.NC(=O)[C@H]1CCCN1c1nc(-c2ccncc2)nc2[nH]c(-c3ccccc3)cc12
InChIInChI=1S/C22H20N6O.CH4/c23-19(29)18-7-4-12-28(18)22-16-13-17(14-5-2-1-3-6-14)25-21(16)26-20(27-22)15-8-10-24-11-9-15;/h1-3,5-6,8-11,13,18H,4,7,12H2,(H2,23,29)(H,25,26,27);1H4/t18-;/m1./s1
InChIKeyKHJWQKKKEHQPRV-GMUIIQOCSA-N
XLogP3.78
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methane;(2R)-1-(6-phenyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide 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

(2S)-1-(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;sulfane
CID 158883891
(2S)-1-(2-phenylquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 40810173
2-[[4-(2-carbamoylpyrrolidin-1-yl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]methoxy]acetic acid;sulfane
CID 161407686
methyl 2-[[4-(2-carbamoylpyrrolidin-1-yl)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]methoxy]acetate;sulfane
CID 162051298
1-(5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide
CID 72510858
1-(2-aminoquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 80765389
(2R)-1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 137291643
2-[[6-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-phenyl-7H-purin-8-yl]methoxy]acetic acid;sulfane
CID 158310498
(2R)-1-(2-thiophen-2-ylquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 2573801
(2S)-1-(3-phenyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 58067491
N-(2-methoxy-5-methylphenyl)-1-(2-pyridin-4-ylquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 133307081
(2R)-1-(4-phenylquinazolin-2-yl)pyrrolidine-2-carboxamide
CID 34039994

Frequently Asked Questions

What is the IUPAC name of methane;(2R)-1-(6-phenyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of methane;(2R)-1-(6-phenyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide (CID 159135141) is methane;(2R)-1-(6-phenyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for methane;(2R)-1-(6-phenyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for methane;(2R)-1-(6-phenyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide is C.NC(=O)[C@H]1CCCN1c1nc(-c2ccncc2)nc2[nH]c(-c3ccccc3)cc12.
What is the InChIKey of methane;(2R)-1-(6-phenyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is KHJWQKKKEHQPRV-GMUIIQOCSA-N. The full InChI is InChI=1S/C22H20N6O.CH4/c23-19(29)18-7-4-12-28(18)22-16-13-17(14-5-2-1-3-6-14)25-21(16)26-20(27-22)15-8-10-24-11-9-15;/h1-3,5-6,8-11,13,18H,4,7,12H2,(H2,23,29)(H,25,26,27);1H4/t18-;/m1./s1.
What are the key properties of methane;(2R)-1-(6-phenyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide?
methane;(2R)-1-(6-phenyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 400.49 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(2R)-1-(6-phenyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 159135141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).