8-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-7-one

C20H21ClN4O3 — CID 10201022

IUPAC8-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(Cn2c(=O)ccc3cnc(N4CCC[C@H]4CO)nc32)cc1Cl
InChIInChI=1S/C20H21ClN4O3/c1-28-17-6-4-13(9-16(17)21)11-25-18(27)7-5-14-10-22-20(23-19(14)25)24-8-2-3-15(24)12-26/h4-7,9-10,15,26H,2-3,8,11-12H2,1H3/t15-/m0/s1
InChIKeyMEKSVWXYQICRDX-HNNXBMFYSA-N
MW400.87 g/mol
LogP2.46
Rot. Bonds5

About 8-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-7-one

8-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 10201022) has the molecular formula C20H21ClN4O3 and a molecular weight of 400.87 g/mol. Its IUPAC name is 8-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID10201022
Molecular FormulaC20H21ClN4O3
Molecular Weight400.87 g/mol
Exact Mass400.13
IUPAC Name8-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(Cn2c(=O)ccc3cnc(N4CCC[C@H]4CO)nc32)cc1Cl
InChIInChI=1S/C20H21ClN4O3/c1-28-17-6-4-13(9-16(17)21)11-25-18(27)7-5-14-10-22-20(23-19(14)25)24-8-2-3-15(24)12-26/h4-7,9-10,15,26H,2-3,8,11-12H2,1H3/t15-/m0/s1
InChIKeyMEKSVWXYQICRDX-HNNXBMFYSA-N
XLogP2.46
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-7-one (CID 10201022) is 8-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-7-one is COc1ccc(Cn2c(=O)ccc3cnc(N4CCC[C@H]4CO)nc32)cc1Cl.
What is the InChIKey of 8-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is MEKSVWXYQICRDX-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21ClN4O3/c1-28-17-6-4-13(9-16(17)21)11-25-18(27)7-5-14-10-22-20(23-19(14)25)24-8-2-3-15(24)12-26/h4-7,9-10,15,26H,2-3,8,11-12H2,1H3/t15-/m0/s1.
What are the key properties of 8-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-7-one?
8-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 400.87 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-chloro-4-methoxyphenyl)methyl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 10201022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).