4-[(3S)-3-[3-[5-(trifluoromethoxy)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C23H18F3N5O4 — CID 58182576

IUPAC4-[(3S)-3-[3-[5-(trifluoromethoxy)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESC[C@@H](CC(=O)c1ncnc2c1CCC(=O)N2)c1cc(C2=Nc3ccc(OC(F)(F)F)cc3C2)no1
InChIInChI=1S/C23H18F3N5O4/c1-11(6-18(32)21-14-3-5-20(33)30-22(14)28-10-27-21)19-9-17(31-35-19)16-8-12-7-13(34-23(24,25)26)2-4-15(12)29-16/h2,4,7,9-11H,3,5-6,8H2,1H3,(H,27,28,30,33)/t11-/m0/s1
InChIKeyKKSYTLLQTBQQMS-NSHDSACASA-N
MW485.42 g/mol
LogP4.30
Rot. Bonds6

About 4-[(3S)-3-[3-[5-(trifluoromethoxy)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

4-[(3S)-3-[3-[5-(trifluoromethoxy)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 58182576) has the molecular formula C23H18F3N5O4 and a molecular weight of 485.42 g/mol. Its IUPAC name is 4-[(3S)-3-[3-[5-(trifluoromethoxy)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-[(3S)-3-[3-[5-(trifluoromethoxy)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID58182576
Molecular FormulaC23H18F3N5O4
Molecular Weight485.42 g/mol
Exact Mass485.13
IUPAC Name4-[(3S)-3-[3-[5-(trifluoromethoxy)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESC[C@@H](CC(=O)c1ncnc2c1CCC(=O)N2)c1cc(C2=Nc3ccc(OC(F)(F)F)cc3C2)no1
InChIInChI=1S/C23H18F3N5O4/c1-11(6-18(32)21-14-3-5-20(33)30-22(14)28-10-27-21)19-9-17(31-35-19)16-8-12-7-13(34-23(24,25)26)2-4-15(12)29-16/h2,4,7,9-11H,3,5-6,8H2,1H3,(H,27,28,30,33)/t11-/m0/s1
InChIKeyKKSYTLLQTBQQMS-NSHDSACASA-N
XLogP4.30
TPSA119.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[(3S)-3-[3-[5-(trifluoromethoxy)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4R)-N-(cyclopropylmethyl)-3-fluoro-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine
CID 137434150
8-[4-(4-Methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydro-[1,2]oxazolo[4,5-h]quinazoline-3-carboxamide
CID 56645843
8-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-[(3S)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 58182525
5-[(3S)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one
CID 58182539
4-[(3S)-3-[3-[5-(trifluoromethylsulfonyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 58182545
4-[(3S)-3-[3-[5-(trifluoromethyl)-3H-pyrrolo[3,2-b]pyridin-2-yl]-1,2-oxazol-5-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 58182547
3-[(2,4-dimethoxy-6-methylphenyl)methyl]-5-[(3S)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-1,4-dihydropyrimido[4,5-d]pyrimidin-2-one
CID 58182558
4-[(3S)-3-[3-[5-(trifluoromethyl)-3H-pyrrolo[2,3-c]pyridin-2-yl]-1,2-oxazol-5-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 58182565
4-[(3S)-3-[3-[5-(trifluoromethyl)-3H-pyrrolo[2,3-b]pyridin-2-yl]-1,2-oxazol-5-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 58182587
4-[(3S)-3-[5-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-3-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 58182591
4-[(3S)-3-[3-[5-(trifluoromethyl)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 58182599
N-[2-amino-5-(trifluoromethyl)phenyl]-5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazole-3-carboxamide
CID 58182609

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-[3-[5-(trifluoromethoxy)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-[(3S)-3-[3-[5-(trifluoromethoxy)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 58182576) is 4-[(3S)-3-[3-[5-(trifluoromethoxy)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-[(3S)-3-[3-[5-(trifluoromethoxy)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-[(3S)-3-[3-[5-(trifluoromethoxy)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is C[C@@H](CC(=O)c1ncnc2c1CCC(=O)N2)c1cc(C2=Nc3ccc(OC(F)(F)F)cc3C2)no1.
What is the InChIKey of 4-[(3S)-3-[3-[5-(trifluoromethoxy)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is KKSYTLLQTBQQMS-NSHDSACASA-N. The full InChI is InChI=1S/C23H18F3N5O4/c1-11(6-18(32)21-14-3-5-20(33)30-22(14)28-10-27-21)19-9-17(31-35-19)16-8-12-7-13(34-23(24,25)26)2-4-15(12)29-16/h2,4,7,9-11H,3,5-6,8H2,1H3,(H,27,28,30,33)/t11-/m0/s1.
What are the key properties of 4-[(3S)-3-[3-[5-(trifluoromethoxy)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
4-[(3S)-3-[3-[5-(trifluoromethoxy)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 485.42 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-[3-[5-(trifluoromethoxy)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 58182576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).