8-benzyl-6-(2-chlorophenyl)-2-[(4-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one

C26H25ClN4O2 — CID 23551682

IUPAC8-benzyl-6-(2-chlorophenyl)-2-[(4-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1c(-c2ccccc2Cl)cc2cnc(NC3CCC(O)CC3)nc2n1Cc1ccccc1
InChIInChI=1S/C26H25ClN4O2/c27-23-9-5-4-8-21(23)22-14-18-15-28-26(29-19-10-12-20(32)13-11-19)30-24(18)31(25(22)33)16-17-6-2-1-3-7-17/h1-9,14-15,19-20,32H,10-13,16H2,(H,28,29,30)
InChIKeyIXCIOKZNXMVCDL-UHFFFAOYSA-N
MW460.97 g/mol
LogP4.88
Rot. Bonds5

About 8-benzyl-6-(2-chlorophenyl)-2-[(4-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one

8-benzyl-6-(2-chlorophenyl)-2-[(4-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 23551682) has the molecular formula C26H25ClN4O2 and a molecular weight of 460.97 g/mol. Its IUPAC name is 8-benzyl-6-(2-chlorophenyl)-2-[(4-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-benzyl-6-(2-chlorophenyl)-2-[(4-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID23551682
Molecular FormulaC26H25ClN4O2
Molecular Weight460.97 g/mol
Exact Mass460.17
IUPAC Name8-benzyl-6-(2-chlorophenyl)-2-[(4-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1c(-c2ccccc2Cl)cc2cnc(NC3CCC(O)CC3)nc2n1Cc1ccccc1
InChIInChI=1S/C26H25ClN4O2/c27-23-9-5-4-8-21(23)22-14-18-15-28-26(29-19-10-12-20(32)13-11-19)30-24(18)31(25(22)33)16-17-6-2-1-3-7-17/h1-9,14-15,19-20,32H,10-13,16H2,(H,28,29,30)
InChIKeyIXCIOKZNXMVCDL-UHFFFAOYSA-N
XLogP4.88
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.97
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

sodium 2-[6-(2-chlorophenyl)-2-[(4-hydroxycyclohexyl)amino]-7-oxopyrido[2,3-d]pyrimidin-8-yl]acetic acid
CID 159289096
8-amino-6-(2-chlorophenyl)-2-[(4-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 23551749
6-(2-chlorophenyl)-8-(2-fluoroethyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 23551699
6-(2-chlorophenyl)-2-[[3-(hydroxymethyl)-3-methyl-1,5-dioxaspiro[5.5]undecan-9-yl]amino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 23551715
[4-[[6-(2-chlorophenyl)-7-oxo-8-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]urea
CID 23551739
methyl N-[4-[[6-(2-chlorophenyl)-7-oxo-8-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]carbamate
CID 23551841
ethyl 4-[[6-(2-chlorophenyl)-7-oxo-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 23551832
2-[(1-acetylpiperidin-4-yl)amino]-6-(2-chlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 23551756
[4-[[6-(2-chlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl] methyl carbonate;hydrochloride
CID 162319048
2-[(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)amino]-6-(2-chlorophenyl)-8-(1-methylpyrrolidin-3-yl)pyrido[2,3-d]pyrimidin-7-one
CID 11635072
6-(2-chlorophenyl)-8-(2-methylpropylamino)-2-(oxan-4-ylamino)pyrido[2,3-d]pyrimidin-7-one;ethane
CID 142118172
2-[(6-benzyl-6-azabicyclo[3.1.1]heptan-3-yl)amino]-6-(2-chlorophenyl)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 71013046

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-6-(2-chlorophenyl)-2-[(4-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-benzyl-6-(2-chlorophenyl)-2-[(4-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one (CID 23551682) is 8-benzyl-6-(2-chlorophenyl)-2-[(4-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-benzyl-6-(2-chlorophenyl)-2-[(4-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-benzyl-6-(2-chlorophenyl)-2-[(4-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one is O=c1c(-c2ccccc2Cl)cc2cnc(NC3CCC(O)CC3)nc2n1Cc1ccccc1.
What is the InChIKey of 8-benzyl-6-(2-chlorophenyl)-2-[(4-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is IXCIOKZNXMVCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O2/c27-23-9-5-4-8-21(23)22-14-18-15-28-26(29-19-10-12-20(32)13-11-19)30-24(18)31(25(22)33)16-17-6-2-1-3-7-17/h1-9,14-15,19-20,32H,10-13,16H2,(H,28,29,30).
What are the key properties of 8-benzyl-6-(2-chlorophenyl)-2-[(4-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one?
8-benzyl-6-(2-chlorophenyl)-2-[(4-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 460.97 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-6-(2-chlorophenyl)-2-[(4-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 23551682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).