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

C23H21N5O4 — CID 58182551

IUPAC4-[(3S)-3-[3-(5-methoxy-3H-indol-2-yl)-1,2-oxazol-5-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc2c(c1)CC(c1cc([C@@H](C)CC(=O)c3ncnc4c3CCC(=O)N4)on1)=N2
InChIInChI=1S/C23H21N5O4/c1-12(7-19(29)22-15-4-6-21(30)27-23(15)25-11-24-22)20-10-18(28-32-20)17-9-13-8-14(31-2)3-5-16(13)26-17/h3,5,8,10-12H,4,6-7,9H2,1-2H3,(H,24,25,27,30)/t12-/m0/s1
InChIKeyYCTVOLGJDYHTPL-LBPRGKRZSA-N
MW431.45 g/mol
LogP3.41
Rot. Bonds6

About 4-[(3S)-3-[3-(5-methoxy-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-methoxy-3H-indol-2-yl)-1,2-oxazol-5-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 58182551) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is 4-[(3S)-3-[3-(5-methoxy-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-methoxy-3H-indol-2-yl)-1,2-oxazol-5-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID58182551
Molecular FormulaC23H21N5O4
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC Name4-[(3S)-3-[3-(5-methoxy-3H-indol-2-yl)-1,2-oxazol-5-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc2c(c1)CC(c1cc([C@@H](C)CC(=O)c3ncnc4c3CCC(=O)N4)on1)=N2
InChIInChI=1S/C23H21N5O4/c1-12(7-19(29)22-15-4-6-21(30)27-23(15)25-11-24-22)20-10-18(28-32-20)17-9-13-8-14(31-2)3-5-16(13)26-17/h3,5,8,10-12H,4,6-7,9H2,1-2H3,(H,24,25,27,30)/t12-/m0/s1
InChIKeyYCTVOLGJDYHTPL-LBPRGKRZSA-N
XLogP3.41
TPSA119.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

6-(3,5-dimethyl-4-isoxazolyl)-N-[(3-methoxyphenyl)methyl]-4-quinazolinamine
CID 17757075
1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 20924832
N-(3,4-Dimethoxyphenyl)-7-methyl-3-[3-(propan-2-YL)-1,2,4-oxadiazol-5-YL]-1,8-naphthyridin-4-amine
CID 53178403
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-(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-(trifluoromethoxy)-3H-indol-2-yl]-1,2-oxazol-5-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 58182576
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-methoxy-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-methoxy-3H-indol-2-yl)-1,2-oxazol-5-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 58182551) is 4-[(3S)-3-[3-(5-methoxy-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-methoxy-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-methoxy-3H-indol-2-yl)-1,2-oxazol-5-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is COc1ccc2c(c1)CC(c1cc([C@@H](C)CC(=O)c3ncnc4c3CCC(=O)N4)on1)=N2.
What is the InChIKey of 4-[(3S)-3-[3-(5-methoxy-3H-indol-2-yl)-1,2-oxazol-5-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is YCTVOLGJDYHTPL-LBPRGKRZSA-N. The full InChI is InChI=1S/C23H21N5O4/c1-12(7-19(29)22-15-4-6-21(30)27-23(15)25-11-24-22)20-10-18(28-32-20)17-9-13-8-14(31-2)3-5-16(13)26-17/h3,5,8,10-12H,4,6-7,9H2,1-2H3,(H,24,25,27,30)/t12-/m0/s1.
What are the key properties of 4-[(3S)-3-[3-(5-methoxy-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-methoxy-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 431.45 g/mol, XLogP of 3.41, 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-methoxy-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 58182551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).