6-chloro-4-(2-methylpiperazin-1-yl)-7-(2-methylpiperidin-1-yl)-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one

C27H35ClN6O — CID 146236068

IUPAC6-chloro-4-(2-methylpiperazin-1-yl)-7-(2-methylpiperidin-1-yl)-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCC(C)c1ccccc1-n1c(=O)nc(N2CCNCC2C)c2cc(Cl)c(N3CCCCC3C)nc21
InChIInChI=1S/C27H35ClN6O/c1-17(2)20-10-5-6-11-23(20)34-25-21(24(31-27(34)35)33-14-12-29-16-19(33)4)15-22(28)26(30-25)32-13-8-7-9-18(32)3/h5-6,10-11,15,17-19,29H,7-9,12-14,16H2,1-4H3
InChIKeyWLACMDKNYBIARW-UHFFFAOYSA-N
MW495.07 g/mol
LogP4.73
Rot. Bonds4

About 6-chloro-4-(2-methylpiperazin-1-yl)-7-(2-methylpiperidin-1-yl)-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one

6-chloro-4-(2-methylpiperazin-1-yl)-7-(2-methylpiperidin-1-yl)-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 146236068) has the molecular formula C27H35ClN6O and a molecular weight of 495.07 g/mol. Its IUPAC name is 6-chloro-4-(2-methylpiperazin-1-yl)-7-(2-methylpiperidin-1-yl)-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name6-chloro-4-(2-methylpiperazin-1-yl)-7-(2-methylpiperidin-1-yl)-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
PubChem CID146236068
Molecular FormulaC27H35ClN6O
Molecular Weight495.07 g/mol
Exact Mass494.26
IUPAC Name6-chloro-4-(2-methylpiperazin-1-yl)-7-(2-methylpiperidin-1-yl)-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
SMILESCC(C)c1ccccc1-n1c(=O)nc(N2CCNCC2C)c2cc(Cl)c(N3CCCCC3C)nc21
InChIInChI=1S/C27H35ClN6O/c1-17(2)20-10-5-6-11-23(20)34-25-21(24(31-27(34)35)33-14-12-29-16-19(33)4)15-22(28)26(30-25)32-13-8-7-9-18(32)3/h5-6,10-11,15,17-19,29H,7-9,12-14,16H2,1-4H3
InChIKeyWLACMDKNYBIARW-UHFFFAOYSA-N
XLogP4.73
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.07
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-chloro-4-(2-methylpiperazin-1-yl)-7-(2-methylpiperidin-1-yl)-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one with MolForge

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Related Compounds

6-chloro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)-7-(1H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-2-one
CID 146234956
4,6,7-trichloro-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 146235349
6-chloro-7-(2-chloro-5-methoxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 146254341
6-chloro-7-(3-fluorophenoxy)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 146254503
6-chloro-7-(3-fluoro-2-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 146254340
6-chloro-7-(1,3-dimethylpyrrol-2-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 157239095
6-chloro-4-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-[(2S)-2-methylpiperidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 175706441
6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(6-fluoro-1-benzofuran-7-yl)-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
CID 155774902
6-chloro-7-(3-fluoro-5-methyl-2-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 157273731
6-chloro-7-methyl-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)quinazolin-2-one
CID 159119244
6-chloro-7-[2-(difluoromethoxy)phenyl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 146235049
7-(6-amino-3-fluoro-2-pyridinyl)-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-dichlorophenyl)-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-methyl-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-methylpiperidin-1-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 158867376

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2-methylpiperazin-1-yl)-7-(2-methylpiperidin-1-yl)-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 6-chloro-4-(2-methylpiperazin-1-yl)-7-(2-methylpiperidin-1-yl)-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one (CID 146236068) is 6-chloro-4-(2-methylpiperazin-1-yl)-7-(2-methylpiperidin-1-yl)-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 6-chloro-4-(2-methylpiperazin-1-yl)-7-(2-methylpiperidin-1-yl)-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 6-chloro-4-(2-methylpiperazin-1-yl)-7-(2-methylpiperidin-1-yl)-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one is CC(C)c1ccccc1-n1c(=O)nc(N2CCNCC2C)c2cc(Cl)c(N3CCCCC3C)nc21.
What is the InChIKey of 6-chloro-4-(2-methylpiperazin-1-yl)-7-(2-methylpiperidin-1-yl)-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is WLACMDKNYBIARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35ClN6O/c1-17(2)20-10-5-6-11-23(20)34-25-21(24(31-27(34)35)33-14-12-29-16-19(33)4)15-22(28)26(30-25)32-13-8-7-9-18(32)3/h5-6,10-11,15,17-19,29H,7-9,12-14,16H2,1-4H3.
What are the key properties of 6-chloro-4-(2-methylpiperazin-1-yl)-7-(2-methylpiperidin-1-yl)-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one?
6-chloro-4-(2-methylpiperazin-1-yl)-7-(2-methylpiperidin-1-yl)-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 495.07 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2-methylpiperazin-1-yl)-7-(2-methylpiperidin-1-yl)-1-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 146236068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).