7-oxo-N-[(1R)-1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-yl]ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide

C21H16F3N7O2S — CID 143245819

IUPAC7-oxo-N-[(1R)-1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-yl]ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide
SMILESC[C@@H](NC(=O)c1ncnc2c1CCC(=O)N2)c1ncc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)s1
InChIInChI=1S/C21H16F3N7O2S/c1-9(28-19(33)16-11-3-5-15(32)31-17(11)27-8-26-16)20-25-7-14(34-20)18-29-12-4-2-10(21(22,23)24)6-13(12)30-18/h2,4,6-9H,3,5H2,1H3,(H,28,33)(H,29,30)(H,26,27,31,32)/t9-/m1/s1
InChIKeyAQXVLZWAEDTAQK-SECBINFHSA-N
MW487.47 g/mol
LogP3.87
Rot. Bonds4

About 7-oxo-N-[(1R)-1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-yl]ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide

7-oxo-N-[(1R)-1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-yl]ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide (PubChem CID 143245819) has the molecular formula C21H16F3N7O2S and a molecular weight of 487.47 g/mol. Its IUPAC name is 7-oxo-N-[(1R)-1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-yl]ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name7-oxo-N-[(1R)-1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-yl]ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide
PubChem CID143245819
Molecular FormulaC21H16F3N7O2S
Molecular Weight487.47 g/mol
Exact Mass487.10
IUPAC Name7-oxo-N-[(1R)-1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-yl]ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide
SMILESC[C@@H](NC(=O)c1ncnc2c1CCC(=O)N2)c1ncc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)s1
InChIInChI=1S/C21H16F3N7O2S/c1-9(28-19(33)16-11-3-5-15(32)31-17(11)27-8-26-16)20-25-7-14(34-20)18-29-12-4-2-10(21(22,23)24)6-13(12)30-18/h2,4,6-9H,3,5H2,1H3,(H,28,33)(H,29,30)(H,26,27,31,32)/t9-/m1/s1
InChIKeyAQXVLZWAEDTAQK-SECBINFHSA-N
XLogP3.87
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.47
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 7-oxo-N-[(1R)-1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-yl]ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide with MolForge

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Related Compounds

2-methyl-N-[(1R)-1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-3-yl]ethyl]-1,3-dihydropyrazolo[3,4-d]pyrimidine-4-carboxamide
CID 136502585
6-amino-5-chloro-N-[1-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-5-yl]ethyl]pyrimidine-4-carboxamide
CID 137223646
N-propan-2-yl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide
CID 4915116
6-amino-N-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-3-yl]ethyl]pyrimidine-4-carboxamide
CID 139564868
2-(5-methylthiophen-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455824
N-[3-[(E)-1-[[2-(methylamino)-6-(trifluoromethyl)-3-pyridinyl]imino]propan-2-ylideneamino]oxybut-3-en-2-yl]-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide
CID 143245759
2-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-yl]-3-azaspiro[5.5]undecan-9-yl]acetic acid
CID 56602744
N-[1-(5-formyl-1,3-thiazol-2-yl)ethyl]-7-oxo-6,8-dihydro-5H-pteridine-4-carboxamide
CID 143245702
(2-methyl-1,3-dihydropyrazolo[3,4-d]pyrimidin-4-yl)-[[(1R)-1-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-5-yl]ethyl]amino]methanol
CID 137223687
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone
CID 67378249
2-[1-[[5-chloro-6-(2-hydroxyethylamino)pyrimidine-4-carbonyl]amino]ethyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 139564845
4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 71731138

Frequently Asked Questions

What is the IUPAC name of 7-oxo-N-[(1R)-1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-yl]ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide?
The IUPAC name of 7-oxo-N-[(1R)-1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-yl]ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide (CID 143245819) is 7-oxo-N-[(1R)-1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-yl]ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide.
What is the SMILES notation for 7-oxo-N-[(1R)-1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-yl]ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide?
The canonical SMILES for 7-oxo-N-[(1R)-1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-yl]ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide is C[C@@H](NC(=O)c1ncnc2c1CCC(=O)N2)c1ncc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)s1.
What is the InChIKey of 7-oxo-N-[(1R)-1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-yl]ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide?
The InChIKey is AQXVLZWAEDTAQK-SECBINFHSA-N. The full InChI is InChI=1S/C21H16F3N7O2S/c1-9(28-19(33)16-11-3-5-15(32)31-17(11)27-8-26-16)20-25-7-14(34-20)18-29-12-4-2-10(21(22,23)24)6-13(12)30-18/h2,4,6-9H,3,5H2,1H3,(H,28,33)(H,29,30)(H,26,27,31,32)/t9-/m1/s1.
What are the key properties of 7-oxo-N-[(1R)-1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-yl]ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide?
7-oxo-N-[(1R)-1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-yl]ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide has a molecular weight of 487.47 g/mol, XLogP of 3.87, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-N-[(1R)-1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-2-yl]ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 143245819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).