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

C22H18F3N5O3S — CID 58182594

IUPAC4-[(3S)-3-[5-[2-[6-(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)Cc2cccc(C(F)(F)F)n2)s1
InChIInChI=1S/C22H18F3N5O3S/c1-11(7-15(32)19-13-5-6-18(33)30-20(13)28-10-27-19)21-26-9-16(34-21)14(31)8-12-3-2-4-17(29-12)22(23,24)25/h2-4,9-11H,5-8H2,1H3,(H,27,28,30,33)/t11-/m0/s1
InChIKeyRPZMFCOOXZFLAH-NSHDSACASA-N
MW489.48 g/mol
LogP4.03
Rot. Bonds7

About 4-[(3S)-3-[5-[2-[6-(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-[6-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 58182594) has the molecular formula C22H18F3N5O3S and a molecular weight of 489.48 g/mol. Its IUPAC name is 4-[(3S)-3-[5-[2-[6-(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-[6-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID58182594
Molecular FormulaC22H18F3N5O3S
Molecular Weight489.48 g/mol
Exact Mass489.11
IUPAC Name4-[(3S)-3-[5-[2-[6-(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)Cc2cccc(C(F)(F)F)n2)s1
InChIInChI=1S/C22H18F3N5O3S/c1-11(7-15(32)19-13-5-6-18(33)30-20(13)28-10-27-19)21-26-9-16(34-21)14(31)8-12-3-2-4-17(29-12)22(23,24)25/h2-4,9-11H,5-8H2,1H3,(H,27,28,30,33)/t11-/m0/s1
InChIKeyRPZMFCOOXZFLAH-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-[6-(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
5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 58548384
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
N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 66762900
N-(5-acetylthiophen-2-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 165415322
6-[5-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117667402

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-[5-[2-[6-(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-[6-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 58182594) is 4-[(3S)-3-[5-[2-[6-(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-[6-(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-[6-(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)Cc2cccc(C(F)(F)F)n2)s1.
What is the InChIKey of 4-[(3S)-3-[5-[2-[6-(trifluoromethyl)-2-pyridinyl]acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is RPZMFCOOXZFLAH-NSHDSACASA-N. The full InChI is InChI=1S/C22H18F3N5O3S/c1-11(7-15(32)19-13-5-6-18(33)30-20(13)28-10-27-19)21-26-9-16(34-21)14(31)8-12-3-2-4-17(29-12)22(23,24)25/h2-4,9-11H,5-8H2,1H3,(H,27,28,30,33)/t11-/m0/s1.
What are the key properties of 4-[(3S)-3-[5-[2-[6-(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-[6-(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-[6-(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 58182594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).