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

C24H20N4O — CID 136875362

IUPAC2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-5-[(E)-2-phenylethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESC[C@@H]1Cc2ccccc2N1c1nc2nccc(/C=C/c3ccccc3)c2c(=O)[nH]1
InChIInChI=1S/C24H20N4O/c1-16-15-19-9-5-6-10-20(19)28(16)24-26-22-21(23(29)27-24)18(13-14-25-22)12-11-17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,25,26,27,29)/b12-11+/t16-/m1/s1
InChIKeyYTBVVSRQAXRYNG-LPQFERQCSA-N
MW380.45 g/mol
LogP4.57
Rot. Bonds3

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

2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-5-[(E)-2-phenylethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 136875362) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-5-[(E)-2-phenylethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-5-[(E)-2-phenylethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID136875362
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-5-[(E)-2-phenylethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESC[C@@H]1Cc2ccccc2N1c1nc2nccc(/C=C/c3ccccc3)c2c(=O)[nH]1
InChIInChI=1S/C24H20N4O/c1-16-15-19-9-5-6-10-20(19)28(16)24-26-22-21(23(29)27-24)18(13-14-25-22)12-11-17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,25,26,27,29)/b12-11+/t16-/m1/s1
InChIKeyYTBVVSRQAXRYNG-LPQFERQCSA-N
XLogP4.57
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-5-[(E)-2-(2-methylphenyl)ethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136875369
2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-6-(4-methylphenyl)-5-sulfanylidene-3H-pyrimido[4,5-d]pyrimidin-4-one
CID 136875138
6-(4-ethylphenyl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-5-sulfanylidene-3H-pyrimido[4,5-d]pyrimidin-4-one
CID 136875142
2-(2-methyl-2,3-dihydroindol-1-yl)-6-(3-methylphenyl)-5-sulfanylidene-3H-pyrimido[4,5-d]pyrimidin-4-one
CID 135994177
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
5-[(E)-2-(3-chlorophenyl)ethenyl]-2-piperidin-1-yl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135994722
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
N-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine
CID 112902154
N-ethyl-4-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-2-amine
CID 112903002

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-5-[(E)-2-phenylethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-5-[(E)-2-phenylethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one (CID 136875362) is 2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-5-[(E)-2-phenylethenyl]-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-phenylethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-5-[(E)-2-phenylethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one is C[C@@H]1Cc2ccccc2N1c1nc2nccc(/C=C/c3ccccc3)c2c(=O)[nH]1.
What is the InChIKey of 2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-5-[(E)-2-phenylethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is YTBVVSRQAXRYNG-LPQFERQCSA-N. The full InChI is InChI=1S/C24H20N4O/c1-16-15-19-9-5-6-10-20(19)28(16)24-26-22-21(23(29)27-24)18(13-14-25-22)12-11-17-7-3-2-4-8-17/h2-14,16H,15H2,1H3,(H,25,26,27,29)/b12-11+/t16-/m1/s1.
What are the key properties of 2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-5-[(E)-2-phenylethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-5-[(E)-2-phenylethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 380.45 g/mol, XLogP of 4.57, 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-phenylethenyl]-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 136875362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).