7-[[4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

C29H32N4O3 — CID 159951523

IUPAC7-[[4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCOC[C@H]1CCCN1C(=O)c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)cc1
InChIInChI=1S/C29H32N4O3/c1-19(2)24-8-4-5-9-25(24)27-30-16-22-15-26(34)33(28(22)31-27)17-20-10-12-21(13-11-20)29(35)32-14-6-7-23(32)18-36-3/h4-5,8-13,16,19,23H,6-7,14-15,17-18H2,1-3H3/t23-/m1/s1
InChIKeyHGOXSUJAUAXFJN-HSZRJFAPSA-N
MW484.60 g/mol
LogP4.61
Rot. Bonds7

About 7-[[4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

7-[[4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 159951523) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is 7-[[4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name7-[[4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID159951523
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC Name7-[[4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCOC[C@H]1CCCN1C(=O)c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)cc1
InChIInChI=1S/C29H32N4O3/c1-19(2)24-8-4-5-9-25(24)27-30-16-22-15-26(34)33(28(22)31-27)17-20-10-12-21(13-11-20)29(35)32-14-6-7-23(32)18-36-3/h4-5,8-13,16,19,23H,6-7,14-15,17-18H2,1-3H3/t23-/m1/s1
InChIKeyHGOXSUJAUAXFJN-HSZRJFAPSA-N
XLogP4.61
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[[4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one 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

(3E)-3-[1-(2-methoxypyrimidin-5-yl)butylidene]-2-phenylisoindol-1-one
CID 25058255
N-cyclohexyl-2-fluoro-4-((S)-1-(5-fluoro-4-((S)-4-isopropyl-2-oxooxazolidin-3-yl)pyrimidin-2-ylamino)ethyl)benzamide
CID 71542095
4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]-N-phenylbenzamide
CID 89489924
N-cyclohexyl-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide
CID 89489940
9-(4-(3,3-Difluoropyrrolidine-1-carbonyl)benzyl)-2-(2-
CID 129140137
[1-[5-(2-Fluorophenyl)-pyrimidin-2-yl]-spiro[1,2-dihydro-indole-3,1''-cyclopropane]-6-yl]-[(2S)-2-(methoxymethyl)-pyrrolidin-1-yl]-methanone
CID 138403759
9-(4-(3,3-Difluoropyrrolidine-1-carbonyl)benzyl)-2-
CID 157255621
9-(4-(3-Fluoroazetidine-1-carbonyl)benzyl)-2-
CID 157261982
7-[[4-[3-(4-fluorophenyl)propanoyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157902482
N-[(4-fluorophenyl)methyl]-N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]benzamide
CID 160320352
N-methyl-4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 161040551
N-methyl-N-{(S)-1-[(S)-3-(3-phenyl-propylamino)-pyrrolidine-1-carbonyl]-pyrrolidin-3-yl}-4-pyrimidin-5-yl-benzamide
CID 44415385

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 7-[[4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 159951523) is 7-[[4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 7-[[4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 7-[[4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is COC[C@H]1CCCN1C(=O)c1ccc(CN2C(=O)Cc3cnc(-c4ccccc4C(C)C)nc32)cc1.
What is the InChIKey of 7-[[4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is HGOXSUJAUAXFJN-HSZRJFAPSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-19(2)24-8-4-5-9-25(24)27-30-16-22-15-26(34)33(28(22)31-27)17-20-10-12-21(13-11-20)29(35)32-14-6-7-23(32)18-36-3/h4-5,8-13,16,19,23H,6-7,14-15,17-18H2,1-3H3/t23-/m1/s1.
What are the key properties of 7-[[4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
7-[[4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 484.60 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 159951523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).