N-[[4-chloro-3-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-pyrido[2,3-d]pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide

C25H20ClF3N4O2 — CID 137169029

IUPACN-[[4-chloro-3-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-pyrido[2,3-d]pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1ccc(Cl)c(-c2nc3nc(-c4ccc(C(F)(F)F)cc4)ccc3c(=O)[nH]2)c1
InChIInChI=1S/C25H20ClF3N4O2/c1-13(2)23(34)30-12-14-3-9-19(26)18(11-14)22-32-21-17(24(35)33-22)8-10-20(31-21)15-4-6-16(7-5-15)25(27,28)29/h3-11,13H,12H2,1-2H3,(H,30,34)(H,31,32,33,35)
InChIKeyVGZHNZPNCFKKSD-UHFFFAOYSA-N
MW500.91 g/mol
LogP5.60
Rot. Bonds5

About N-[[4-chloro-3-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-pyrido[2,3-d]pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide

N-[[4-chloro-3-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-pyrido[2,3-d]pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide (PubChem CID 137169029) has the molecular formula C25H20ClF3N4O2 and a molecular weight of 500.91 g/mol. Its IUPAC name is N-[[4-chloro-3-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-pyrido[2,3-d]pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[4-chloro-3-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-pyrido[2,3-d]pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide
PubChem CID137169029
Molecular FormulaC25H20ClF3N4O2
Molecular Weight500.91 g/mol
Exact Mass500.12
IUPAC NameN-[[4-chloro-3-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-pyrido[2,3-d]pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1ccc(Cl)c(-c2nc3nc(-c4ccc(C(F)(F)F)cc4)ccc3c(=O)[nH]2)c1
InChIInChI=1S/C25H20ClF3N4O2/c1-13(2)23(34)30-12-14-3-9-19(26)18(11-14)22-32-21-17(24(35)33-22)8-10-20(31-21)15-4-6-16(7-5-15)25(27,28)29/h3-11,13H,12H2,1-2H3,(H,30,34)(H,31,32,33,35)
InChIKeyVGZHNZPNCFKKSD-UHFFFAOYSA-N
XLogP5.60
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.91
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-hydroxy-7-methyl-1,8-naphthyridine-3-carboxamide
CID 9945283
N-((6-amino-2-methylpyridin-3-yl)methyl)-2-(6-chloro-3-(2,2-difluoro-2-phenylethylamino)-2-fluorophenyl)acetamide
CID 10226645
1-(4-chlorobenzyl)-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4(1H)-one
CID 15988462
7-(2-Chlorophenyl)-6-(4-chlorophenyl)-2-isopropylpyrido[2,3-d]pyrimidin-4-ol
CID 135923581
2-Tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-ol
CID 135923694
2-Tert-butyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)pyrido[2,3-d]pyrimidin-4-ol
CID 135923695
7-(2-Chlorophenyl)-2,6-bis(4-chlorophenyl)pyrido[2,3-d]pyrimidin-4-ol
CID 135923696
Unii-K399UL8ovb
CID 136662868
US10807959, Example 5
CID 146370990
US10807959, Example 67
CID 146371019
US10807959, Example B129
CID 146371168
N-[(3-chlorophenyl)methyl]-1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 2492224

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-pyrido[2,3-d]pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[4-chloro-3-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-pyrido[2,3-d]pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide (CID 137169029) is N-[[4-chloro-3-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-pyrido[2,3-d]pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[4-chloro-3-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-pyrido[2,3-d]pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[4-chloro-3-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-pyrido[2,3-d]pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide is CC(C)C(=O)NCc1ccc(Cl)c(-c2nc3nc(-c4ccc(C(F)(F)F)cc4)ccc3c(=O)[nH]2)c1.
What is the InChIKey of N-[[4-chloro-3-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-pyrido[2,3-d]pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide?
The InChIKey is VGZHNZPNCFKKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF3N4O2/c1-13(2)23(34)30-12-14-3-9-19(26)18(11-14)22-32-21-17(24(35)33-22)8-10-20(31-21)15-4-6-16(7-5-15)25(27,28)29/h3-11,13H,12H2,1-2H3,(H,30,34)(H,31,32,33,35).
What are the key properties of N-[[4-chloro-3-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-pyrido[2,3-d]pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide?
N-[[4-chloro-3-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-pyrido[2,3-d]pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide has a molecular weight of 500.91 g/mol, XLogP of 5.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-[4-oxo-7-[4-(trifluoromethyl)phenyl]-3H-pyrido[2,3-d]pyrimidin-2-yl]phenyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 137169029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).