4-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N'-hydroxybutanimidamide

C24H20F3N5O2 — CID 76656992

IUPAC4-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N'-hydroxybutanimidamide
SMILESCc1cc(F)ccc1-c1nc(CCCC(N)=NO)nc2c1ccc(=O)n2-c1c(F)cccc1F
InChIInChI=1S/C24H20F3N5O2/c1-13-12-14(25)8-9-15(13)22-16-10-11-21(33)32(23-17(26)4-2-5-18(23)27)24(16)30-20(29-22)7-3-6-19(28)31-34/h2,4-5,8-12,34H,3,6-7H2,1H3,(H2,28,31)
InChIKeyLBEMNSSBTSTSDT-UHFFFAOYSA-N
MW467.45 g/mol
LogP4.24
Rot. Bonds6

About 4-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N'-hydroxybutanimidamide

4-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N'-hydroxybutanimidamide (PubChem CID 76656992) has the molecular formula C24H20F3N5O2 and a molecular weight of 467.45 g/mol. Its IUPAC name is 4-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N'-hydroxybutanimidamide
PubChem CID76656992
Molecular FormulaC24H20F3N5O2
Molecular Weight467.45 g/mol
Exact Mass467.16
IUPAC Name4-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N'-hydroxybutanimidamide
SMILESCc1cc(F)ccc1-c1nc(CCCC(N)=NO)nc2c1ccc(=O)n2-c1c(F)cccc1F
InChIInChI=1S/C24H20F3N5O2/c1-13-12-14(25)8-9-15(13)22-16-10-11-21(33)32(23-17(26)4-2-5-18(23)27)24(16)30-20(29-22)7-3-6-19(28)31-34/h2,4-5,8-12,34H,3,6-7H2,1H3,(H2,28,31)
InChIKeyLBEMNSSBTSTSDT-UHFFFAOYSA-N
XLogP4.24
TPSA106.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.45
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]pyrido[2,3-d]pyrimidin-7-one
CID 58105274
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
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-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 59639543
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-oxo-1H-pyridin-4-ylidene)amino]pyrido[2,3-d]pyrimidin-7-one
CID 137143855
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-(2-methoxyethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 59639607
N-[2-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]oxyethyl]acetamide
CID 59639614
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-[[5-(3-methylphenyl)-4-oxopentyl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 58154504
8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-hydroxycyclohexyl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 69312774

Frequently Asked Questions

What is the IUPAC name of 4-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N'-hydroxybutanimidamide?
The IUPAC name of 4-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N'-hydroxybutanimidamide (CID 76656992) is 4-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N'-hydroxybutanimidamide?
The canonical SMILES for 4-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N'-hydroxybutanimidamide is Cc1cc(F)ccc1-c1nc(CCCC(N)=NO)nc2c1ccc(=O)n2-c1c(F)cccc1F.
What is the InChIKey of 4-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N'-hydroxybutanimidamide?
The InChIKey is LBEMNSSBTSTSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O2/c1-13-12-14(25)8-9-15(13)22-16-10-11-21(33)32(23-17(26)4-2-5-18(23)27)24(16)30-20(29-22)7-3-6-19(28)31-34/h2,4-5,8-12,34H,3,6-7H2,1H3,(H2,28,31).
What are the key properties of 4-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N'-hydroxybutanimidamide?
4-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N'-hydroxybutanimidamide has a molecular weight of 467.45 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(2,6-difluorophenyl)-4-(4-fluoro-2-methylphenyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]-N'-hydroxybutanimidamide is sourced from PubChem (CID 76656992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).