5-[[(1-aminocyclopentyl)methyl-methylamino]methyl]-6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one

C29H33N5O2 — CID 140762372

IUPAC5-[[(1-aminocyclopentyl)methyl-methylamino]methyl]-6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one
SMILESCc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)CC2(N)CCCC2)c1
InChIInChI=1S/C29H33N5O2/c1-19-11-20(2)13-21(12-19)24-15-31-27-26(25(24)16-33(3)17-29(30)9-4-5-10-29)28(36)34(18-32-27)22-7-6-8-23(35)14-22/h6-8,11-15,18,35H,4-5,9-10,16-17,30H2,1-3H3
InChIKeyQCTDTIWEDRKMJK-UHFFFAOYSA-N
MW483.62 g/mol
LogP4.47
Rot. Bonds6

About 5-[[(1-aminocyclopentyl)methyl-methylamino]methyl]-6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one

5-[[(1-aminocyclopentyl)methyl-methylamino]methyl]-6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one (PubChem CID 140762372) has the molecular formula C29H33N5O2 and a molecular weight of 483.62 g/mol. Its IUPAC name is 5-[[(1-aminocyclopentyl)methyl-methylamino]methyl]-6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[[(1-aminocyclopentyl)methyl-methylamino]methyl]-6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one
PubChem CID140762372
Molecular FormulaC29H33N5O2
Molecular Weight483.62 g/mol
Exact Mass483.26
IUPAC Name5-[[(1-aminocyclopentyl)methyl-methylamino]methyl]-6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one
SMILESCc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)CC2(N)CCCC2)c1
InChIInChI=1S/C29H33N5O2/c1-19-11-20(2)13-21(12-19)24-15-31-27-26(25(24)16-33(3)17-29(30)9-4-5-10-29)28(36)34(18-32-27)22-7-6-8-23(35)14-22/h6-8,11-15,18,35H,4-5,9-10,16-17,30H2,1-3H3
InChIKeyQCTDTIWEDRKMJK-UHFFFAOYSA-N
XLogP4.47
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[(1-aminocyclopentyl)methyl-methylamino]methyl]-6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-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

6-(3-chloro-5-methylphenyl)-3-(3-fluoro-5-hydroxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 124168080
6-(3,5-dimethylphenyl)-3-[3-hydroxy-5-(trifluoromethyl)phenyl]-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 162645609
5-[[2-Aminoethyl(methyl)amino]methyl]-6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one
CID 124167759
6-(3-chloro-5-methylphenyl)-3-(3-hydroxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 124167875
5-[[2-Aminoethyl(ethyl)amino]methyl]-6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one
CID 124168074
6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 124168075
6-(3,5-Dimethylphenyl)-3-(3-hydroxyphenyl)-5-[[methyl(piperidin-2-ylmethyl)amino]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 124168105
6-(3,5-dimethylphenyl)-3-(3-fluoro-5-hydroxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 140762295
6-(3,5-dimethylphenyl)-3-(4-hydroxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 140762327
6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)-5-[[methyl-[[(2R)-piperidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 140762341
6-(3,5-dimethylphenyl)-3-(3-hydroxy-5-methylphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 140762343
6-[3-chloro-5-(hydroxymethyl)phenyl]-3-(3-hydroxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 140762358

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-aminocyclopentyl)methyl-methylamino]methyl]-6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-[[(1-aminocyclopentyl)methyl-methylamino]methyl]-6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one (CID 140762372) is 5-[[(1-aminocyclopentyl)methyl-methylamino]methyl]-6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-[[(1-aminocyclopentyl)methyl-methylamino]methyl]-6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-[[(1-aminocyclopentyl)methyl-methylamino]methyl]-6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one is Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)CC2(N)CCCC2)c1.
What is the InChIKey of 5-[[(1-aminocyclopentyl)methyl-methylamino]methyl]-6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is QCTDTIWEDRKMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O2/c1-19-11-20(2)13-21(12-19)24-15-31-27-26(25(24)16-33(3)17-29(30)9-4-5-10-29)28(36)34(18-32-27)22-7-6-8-23(35)14-22/h6-8,11-15,18,35H,4-5,9-10,16-17,30H2,1-3H3.
What are the key properties of 5-[[(1-aminocyclopentyl)methyl-methylamino]methyl]-6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one?
5-[[(1-aminocyclopentyl)methyl-methylamino]methyl]-6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 483.62 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-aminocyclopentyl)methyl-methylamino]methyl]-6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 140762372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).