1-[3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone

C24H21ClN4O — CID 24909282

IUPAC1-[3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone
SMILESCC(=O)n1cc(CN2CCc3nc(-c4ccc(Cl)cc4)ncc3C2)c2ccccc21
InChIInChI=1S/C24H21ClN4O/c1-16(30)29-15-19(21-4-2-3-5-23(21)29)14-28-11-10-22-18(13-28)12-26-24(27-22)17-6-8-20(25)9-7-17/h2-9,12,15H,10-11,13-14H2,1H3
InChIKeyABYZRDDEDLRHIT-UHFFFAOYSA-N
MW416.91 g/mol
LogP4.97
Rot. Bonds3

About 1-[3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone

1-[3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone (PubChem CID 24909282) has the molecular formula C24H21ClN4O and a molecular weight of 416.91 g/mol. Its IUPAC name is 1-[3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone
PubChem CID24909282
Molecular FormulaC24H21ClN4O
Molecular Weight416.91 g/mol
Exact Mass416.14
IUPAC Name1-[3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone
SMILESCC(=O)n1cc(CN2CCc3nc(-c4ccc(Cl)cc4)ncc3C2)c2ccccc21
InChIInChI=1S/C24H21ClN4O/c1-16(30)29-15-19(21-4-2-3-5-23(21)29)14-28-11-10-22-18(13-28)12-26-24(27-22)17-6-8-20(25)9-7-17/h2-9,12,15H,10-11,13-14H2,1H3
InChIKeyABYZRDDEDLRHIT-UHFFFAOYSA-N
XLogP4.97
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-6-[(1-methylindol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909054
1-[3-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone
CID 24909276
2-(4-chlorophenyl)-7-[(1-methylindol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930632
1-[3-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone
CID 24909267
2-(4-chlorophenyl)-6-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915981
2-chloro-3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]phenol
CID 24929130
2-(4-chlorophenyl)-6-[(2,3-dichlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928227
6-[(1-benzylpyrazol-4-yl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912222
6-[(6-chloro-2-methyl-3-pyridinyl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916569
6-[(2-chloro-6-methyl-3-pyridinyl)methyl]-2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916590
2-(4-chlorophenyl)-6-[(2,3-diethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928248
4-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 24909012

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone?
The IUPAC name of 1-[3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone (CID 24909282) is 1-[3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone.
What is the SMILES notation for 1-[3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone?
The canonical SMILES for 1-[3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone is CC(=O)n1cc(CN2CCc3nc(-c4ccc(Cl)cc4)ncc3C2)c2ccccc21.
What is the InChIKey of 1-[3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone?
The InChIKey is ABYZRDDEDLRHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O/c1-16(30)29-15-19(21-4-2-3-5-23(21)29)14-28-11-10-22-18(13-28)12-26-24(27-22)17-6-8-20(25)9-7-17/h2-9,12,15H,10-11,13-14H2,1H3.
What are the key properties of 1-[3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone?
1-[3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone has a molecular weight of 416.91 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone is sourced from PubChem (CID 24909282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).