8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one

C26H23F3N4O2 — CID 69312774

IUPAC8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(F)ccc1-c1nc(NC2CCCCC2O)nc2c1ccc(=O)n2-c1c(F)cccc1F
InChIInChI=1S/C26H23F3N4O2/c1-14-13-15(27)9-10-16(14)23-17-11-12-22(35)33(24-18(28)5-4-6-19(24)29)25(17)32-26(31-23)30-20-7-2-3-8-21(20)34/h4-6,9-13,20-21,34H,2-3,7-8H2,1H3,(H,30,31,32)
InChIKeyWKIGWUXDAYVDOU-UHFFFAOYSA-N
MW480.49 g/mol
LogP4.89
Rot. Bonds4

About 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one

8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 69312774) has the molecular formula C26H23F3N4O2 and a molecular weight of 480.49 g/mol. Its IUPAC name is 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID69312774
Molecular FormulaC26H23F3N4O2
Molecular Weight480.49 g/mol
Exact Mass480.18
IUPAC Name8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(F)ccc1-c1nc(NC2CCCCC2O)nc2c1ccc(=O)n2-c1c(F)cccc1F
InChIInChI=1S/C26H23F3N4O2/c1-14-13-15(27)9-10-16(14)23-17-11-12-22(35)33(24-18(28)5-4-6-19(24)29)25(17)32-26(31-23)30-20-7-2-3-8-21(20)34/h4-6,9-13,20-21,34H,2-3,7-8H2,1H3,(H,30,31,32)
InChIKeyWKIGWUXDAYVDOU-UHFFFAOYSA-N
XLogP4.89
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.49
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one (CID 69312774) is 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one is Cc1cc(F)ccc1-c1nc(NC2CCCCC2O)nc2c1ccc(=O)n2-c1c(F)cccc1F.
What is the InChIKey of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WKIGWUXDAYVDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O2/c1-14-13-15(27)9-10-16(14)23-17-11-12-22(35)33(24-18(28)5-4-6-19(24)29)25(17)32-26(31-23)30-20-7-2-3-8-21(20)34/h4-6,9-13,20-21,34H,2-3,7-8H2,1H3,(H,30,31,32).
What are the key properties of 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one?
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 480.49 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 69312774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).