4-[(3S)-3-[5-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C22H18F3N5O3S — CID 58182620

IUPAC4-[(3S)-3-[5-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESC[C@@H](CC(=O)c1ncnc2c1CCC(=O)N2)c1ncc(C(=O)Cc2cc(C(F)(F)F)ccn2)s1
InChIInChI=1S/C22H18F3N5O3S/c1-11(6-16(32)19-14-2-3-18(33)30-20(14)29-10-28-19)21-27-9-17(34-21)15(31)8-13-7-12(4-5-26-13)22(23,24)25/h4-5,7,9-11H,2-3,6,8H2,1H3,(H,28,29,30,33)/t11-/m0/s1
InChIKeyGFQYFAZTZNAGKM-NSHDSACASA-N
MW489.48 g/mol
LogP4.03
Rot. Bonds7

About 4-[(3S)-3-[5-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

4-[(3S)-3-[5-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 58182620) has the molecular formula C22H18F3N5O3S and a molecular weight of 489.48 g/mol. Its IUPAC name is 4-[(3S)-3-[5-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-[(3S)-3-[5-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID58182620
Molecular FormulaC22H18F3N5O3S
Molecular Weight489.48 g/mol
Exact Mass489.11
IUPAC Name4-[(3S)-3-[5-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESC[C@@H](CC(=O)c1ncnc2c1CCC(=O)N2)c1ncc(C(=O)Cc2cc(C(F)(F)F)ccn2)s1
InChIInChI=1S/C22H18F3N5O3S/c1-11(6-16(32)19-14-2-3-18(33)30-20(14)29-10-28-19)21-27-9-17(34-21)15(31)8-13-7-12(4-5-26-13)22(23,24)25/h4-5,7,9-11H,2-3,6,8H2,1H3,(H,28,29,30,33)/t11-/m0/s1
InChIKeyGFQYFAZTZNAGKM-NSHDSACASA-N
XLogP4.03
TPSA114.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[(3S)-3-[5-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

6-cyclopropyl-N-(2-pyridin-2-yl-1,3-thiazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53330053
N-(2-aminoethyl)-5-[2-[[4-(4,4-difluoropiperidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15980473
3-Amino-N-[4-[6-amino-2-(trifluoromethyl)-4-pyrimidinyl]-3-pyridinyl]-6-(2-thiazolyl)-2-pyridinecarboxamide
CID 69047229
N-(aminomethyl)-5-[2-[[4-(4-fluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 57404486
N-(aminomethyl)-5-[2-[[4-(4,4-difluoropiperidin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 57404487
3-amino-N-[4-(2-amino-6-methylpyrimidin-4-yl)-3-pyridinyl]-6-(1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 127032072
(7R)-2-amino-7-[4-fluoro-2-(2-methoxy-1,3-thiazol-5-yl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 57462516
6'-(3-Ethylureido)-4'-(4-(trifluoromethyl)thiazol-2-yl)-3,3'-bipyridine-5-carboxamide
CID 59208340
6-[5-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117667402
[(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(6-methylpyridin-2-yl)-1,3-thiazol-4-yl]methanone
CID 130341798
[(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(3-methylpyridin-2-yl)-1,3-thiazol-4-yl]methanone
CID 130341810
[(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(5-methylpyridin-2-yl)-1,3-thiazol-4-yl]methanone
CID 130341811

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-[5-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-[(3S)-3-[5-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 58182620) is 4-[(3S)-3-[5-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-[(3S)-3-[5-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-[(3S)-3-[5-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is C[C@@H](CC(=O)c1ncnc2c1CCC(=O)N2)c1ncc(C(=O)Cc2cc(C(F)(F)F)ccn2)s1.
What is the InChIKey of 4-[(3S)-3-[5-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GFQYFAZTZNAGKM-NSHDSACASA-N. The full InChI is InChI=1S/C22H18F3N5O3S/c1-11(6-16(32)19-14-2-3-18(33)30-20(14)29-10-28-19)21-27-9-17(34-21)15(31)8-13-7-12(4-5-26-13)22(23,24)25/h4-5,7,9-11H,2-3,6,8H2,1H3,(H,28,29,30,33)/t11-/m0/s1.
What are the key properties of 4-[(3S)-3-[5-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
4-[(3S)-3-[5-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 489.48 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-[5-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 58182620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).