2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-5-[(E)-2-(2-methylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one

C25H22N4O — CID 136875369

IUPAC2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-5-[(E)-2-(2-methylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccccc1/C=C/c1ccnc2nc(N3c4ccccc4C[C@H]3C)[nH]c(=O)c12
InChIInChI=1S/C25H22N4O/c1-16-7-3-4-8-18(16)11-12-19-13-14-26-23-22(19)24(30)28-25(27-23)29-17(2)15-20-9-5-6-10-21(20)29/h3-14,17H,15H2,1-2H3,(H,26,27,28,30)/b12-11+/t17-/m1/s1
InChIKeyLXQFSYKFNQXPEB-FMQWLBJXSA-N
MW394.48 g/mol
LogP4.88
Rot. Bonds3

About 2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-5-[(E)-2-(2-methylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one

2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-5-[(E)-2-(2-methylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 136875369) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-5-[(E)-2-(2-methylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-5-[(E)-2-(2-methylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID136875369
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC Name2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-5-[(E)-2-(2-methylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccccc1/C=C/c1ccnc2nc(N3c4ccccc4C[C@H]3C)[nH]c(=O)c12
InChIInChI=1S/C25H22N4O/c1-16-7-3-4-8-18(16)11-12-19-13-14-26-23-22(19)24(30)28-25(27-23)29-17(2)15-20-9-5-6-10-21(20)29/h3-14,17H,15H2,1-2H3,(H,26,27,28,30)/b12-11+/t17-/m1/s1
InChIKeyLXQFSYKFNQXPEB-FMQWLBJXSA-N
XLogP4.88
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-5-[(E)-2-phenylethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136875362
5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136875376
5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136875377
2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-6-(4-methylphenyl)-5-sulfanylidene-3H-pyrimido[4,5-d]pyrimidin-4-one
CID 136875138
2-(2-methyl-2,3-dihydroindol-1-yl)-6-(3-methylphenyl)-5-sulfanylidene-3H-pyrimido[4,5-d]pyrimidin-4-one
CID 135994177
6-(4-ethylphenyl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-5-sulfanylidene-3H-pyrimido[4,5-d]pyrimidin-4-one
CID 136875142
7-methyl-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-6-naphthalen-2-yl-5-sulfanylidene-3H-pyrimido[4,5-d]pyrimidin-4-one
CID 136875361
6-(4-chlorophenyl)-7-methyl-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-5-sulfanylidene-3H-pyrimido[4,5-d]pyrimidin-4-one
CID 136875347
6-(4-ethylphenyl)-7-methyl-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-5-sulfanylidene-3H-pyrimido[4,5-d]pyrimidin-4-one
CID 136875349
4-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
CID 112889950
(7S)-4,7-dimethyl-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-7,8-dihydro-6H-quinazolin-5-one
CID 27261997
2-methyl-1-[4-[(E)-2-thiophen-2-ylethenyl]pyrimidin-2-yl]-2,3-dihydroindole
CID 66494093

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-5-[(E)-2-(2-methylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-5-[(E)-2-(2-methylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one (CID 136875369) is 2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-5-[(E)-2-(2-methylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-5-[(E)-2-(2-methylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-5-[(E)-2-(2-methylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one is Cc1ccccc1/C=C/c1ccnc2nc(N3c4ccccc4C[C@H]3C)[nH]c(=O)c12.
What is the InChIKey of 2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-5-[(E)-2-(2-methylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is LXQFSYKFNQXPEB-FMQWLBJXSA-N. The full InChI is InChI=1S/C25H22N4O/c1-16-7-3-4-8-18(16)11-12-19-13-14-26-23-22(19)24(30)28-25(27-23)29-17(2)15-20-9-5-6-10-21(20)29/h3-14,17H,15H2,1-2H3,(H,26,27,28,30)/b12-11+/t17-/m1/s1.
What are the key properties of 2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-5-[(E)-2-(2-methylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-5-[(E)-2-(2-methylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 394.48 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-5-[(E)-2-(2-methylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 136875369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).