1-[4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone

C22H21ClN4O — CID 134792898

IUPAC1-[4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone
SMILESCCc1nc2c(c(-c3ccc(Cl)cc3)n1)CN(C(=O)Cc1ccccn1)CC2
InChIInChI=1S/C22H21ClN4O/c1-2-20-25-19-10-12-27(21(28)13-17-5-3-4-11-24-17)14-18(19)22(26-20)15-6-8-16(23)9-7-15/h3-9,11H,2,10,12-14H2,1H3
InChIKeyFGRSTFDBEAIMRF-UHFFFAOYSA-N
MW392.89 g/mol
LogP3.88
Rot. Bonds4

About 1-[4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone

1-[4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone (PubChem CID 134792898) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone
PubChem CID134792898
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC Name1-[4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone
SMILESCCc1nc2c(c(-c3ccc(Cl)cc3)n1)CN(C(=O)Cc1ccccn1)CC2
InChIInChI=1S/C22H21ClN4O/c1-2-20-25-19-10-12-27(21(28)13-17-5-3-4-11-24-17)14-18(19)22(26-20)15-6-8-16(23)9-7-15/h3-9,11H,2,10,12-14H2,1H3
InChIKeyFGRSTFDBEAIMRF-UHFFFAOYSA-N
XLogP3.88
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(2-pyridin-2-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid
CID 91778749
4-(4-chlorophenyl)-2-ethyl-6-(3-methylbutyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 134795073
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 143237953
[2-(4-chlorophenyl)-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methylphenyl)methanone
CID 134794191
(2-chlorophenyl)-[2-(4-chlorophenyl)-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 134792569
[2-(4-chlorophenyl)-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-cyclopropylmethanone
CID 134791712
1,2-dimethyl-5-(2-pyridin-2-ylacetyl)-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-one
CID 97471110
1,3-benzodioxol-5-yl-[2-ethyl-4-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 134789525
1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-naphthalen-1-ylethanone
CID 108726086
1-[2-[3-(hydroxymethyl)phenyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
CID 91793391
4-(4-chlorophenyl)-2-ethyl-6-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 134791727
[2-(4-chlorophenyl)-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-cyclopentylmethanone
CID 134792513

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone (CID 134792898) is 1-[4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone is CCc1nc2c(c(-c3ccc(Cl)cc3)n1)CN(C(=O)Cc1ccccn1)CC2.
What is the InChIKey of 1-[4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone?
The InChIKey is FGRSTFDBEAIMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O/c1-2-20-25-19-10-12-27(21(28)13-17-5-3-4-11-24-17)14-18(19)22(26-20)15-6-8-16(23)9-7-15/h3-9,11H,2,10,12-14H2,1H3.
What are the key properties of 1-[4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone?
1-[4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone has a molecular weight of 392.89 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 134792898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).