6-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one

C29H33N5O2 — CID 140762429

IUPAC6-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1cccc(-n2cnc3ncc(-c4cc(C)cc(C)c4)c(CN(C)C[C@@H]4CCCN4)c3c2=O)c1
InChIInChI=1S/C29H33N5O2/c1-19-11-20(2)13-21(12-19)25-15-31-28-27(26(25)17-33(3)16-22-7-6-10-30-22)29(35)34(18-32-28)23-8-5-9-24(14-23)36-4/h5,8-9,11-15,18,22,30H,6-7,10,16-17H2,1-4H3/t22-/m0/s1
InChIKeySFXCQCMUIFXWBY-QFIPXVFZSA-N
MW483.62 g/mol
LogP4.26
Rot. Bonds7

About 6-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one

6-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 140762429) has the molecular formula C29H33N5O2 and a molecular weight of 483.62 g/mol. Its IUPAC name is 6-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID140762429
Molecular FormulaC29H33N5O2
Molecular Weight483.62 g/mol
Exact Mass483.26
IUPAC Name6-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCOc1cccc(-n2cnc3ncc(-c4cc(C)cc(C)c4)c(CN(C)C[C@@H]4CCCN4)c3c2=O)c1
InChIInChI=1S/C29H33N5O2/c1-19-11-20(2)13-21(12-19)25-15-31-28-27(26(25)17-33(3)16-22-7-6-10-30-22)29(35)34(18-32-28)23-8-5-9-24(14-23)36-4/h5,8-9,11-15,18,22,30H,6-7,10,16-17H2,1-4H3/t22-/m0/s1
InChIKeySFXCQCMUIFXWBY-QFIPXVFZSA-N
XLogP4.26
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 146681130
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CID 124168080
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CID 162645609
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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one (CID 140762429) is 6-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one is COc1cccc(-n2cnc3ncc(-c4cc(C)cc(C)c4)c(CN(C)C[C@@H]4CCCN4)c3c2=O)c1.
What is the InChIKey of 6-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is SFXCQCMUIFXWBY-QFIPXVFZSA-N. The full InChI is InChI=1S/C29H33N5O2/c1-19-11-20(2)13-21(12-19)25-15-31-28-27(26(25)17-33(3)16-22-7-6-10-30-22)29(35)34(18-32-28)23-8-5-9-24(14-23)36-4/h5,8-9,11-15,18,22,30H,6-7,10,16-17H2,1-4H3/t22-/m0/s1.
What are the key properties of 6-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one?
6-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 483.62 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 140762429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).