[2-[[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentanecarbonyl]azanium

C26H23F3N5O2+ — CID 148766190

IUPAC[2-[[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentanecarbonyl]azanium
SMILESCc1cc(F)ccc1-c1nc(NC2CCCC2C([NH3+])=O)nc2c1ccc(=O)n2-c1c(F)cccc1F
InChIInChI=1S/C26H22F3N5O2/c1-13-12-14(27)8-9-15(13)22-17-10-11-21(35)34(23-18(28)5-3-6-19(23)29)25(17)33-26(32-22)31-20-7-2-4-16(20)24(30)36/h3,5-6,8-12,16,20H,2,4,7H2,1H3,(H2,30,36)(H,31,32,33)/p+1
InChIKeyOHNCRWMRIZZHOC-UHFFFAOYSA-O
MW494.50 g/mol
LogP3.52
Rot. Bonds5

About [2-[[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentanecarbonyl]azanium

[2-[[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentanecarbonyl]azanium (PubChem CID 148766190) has the molecular formula C26H23F3N5O2+ and a molecular weight of 494.50 g/mol. Its IUPAC name is [2-[[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentanecarbonyl]azanium.

Molecular Properties

Compound Name[2-[[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentanecarbonyl]azanium
PubChem CID148766190
Molecular FormulaC26H23F3N5O2+
Molecular Weight494.50 g/mol
Exact Mass494.18
IUPAC Name[2-[[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentanecarbonyl]azanium
SMILESCc1cc(F)ccc1-c1nc(NC2CCCC2C([NH3+])=O)nc2c1ccc(=O)n2-c1c(F)cccc1F
InChIInChI=1S/C26H22F3N5O2/c1-13-12-14(27)8-9-15(13)22-17-10-11-21(35)34(23-18(28)5-3-6-19(23)29)25(17)33-26(32-22)31-20-7-2-4-16(20)24(30)36/h3,5-6,8-12,16,20H,2,4,7H2,1H3,(H2,30,36)(H,31,32,33)/p+1
InChIKeyOHNCRWMRIZZHOC-UHFFFAOYSA-O
XLogP3.52
TPSA104.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.50
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 69312774
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 59639568
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
CID 59639647
2-[[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]acetic acid
CID 59639631
N-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]methanesulfinamide
CID 142156295
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 59639543
1-[2-[[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]-3-methylurea
CID 59639510
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 59639607
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)methylamino]pyrido[2,3-d]pyrimidin-7-one
CID 59639586
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 59639550
8-(2,6-dimethylphenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-hydroxyethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 59639582
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[[5-(3-methylphenyl)-4-oxopentyl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 58154504

Frequently Asked Questions

What is the IUPAC name of [2-[[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentanecarbonyl]azanium?
The IUPAC name of [2-[[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentanecarbonyl]azanium (CID 148766190) is [2-[[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentanecarbonyl]azanium.
What is the SMILES notation for [2-[[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentanecarbonyl]azanium?
The canonical SMILES for [2-[[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentanecarbonyl]azanium is Cc1cc(F)ccc1-c1nc(NC2CCCC2C([NH3+])=O)nc2c1ccc(=O)n2-c1c(F)cccc1F.
What is the InChIKey of [2-[[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentanecarbonyl]azanium?
The InChIKey is OHNCRWMRIZZHOC-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H22F3N5O2/c1-13-12-14(27)8-9-15(13)22-17-10-11-21(35)34(23-18(28)5-3-6-19(23)29)25(17)33-26(32-22)31-20-7-2-4-16(20)24(30)36/h3,5-6,8-12,16,20H,2,4,7H2,1H3,(H2,30,36)(H,31,32,33)/p+1.
What are the key properties of [2-[[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentanecarbonyl]azanium?
[2-[[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentanecarbonyl]azanium has a molecular weight of 494.50 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentanecarbonyl]azanium is sourced from PubChem (CID 148766190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).