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

C21H24ClN3O — CID 134795466

IUPAC[4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-cyclopentylmethanone
SMILESCCc1nc2c(c(-c3ccc(Cl)cc3)n1)CN(C(=O)C1CCCC1)CC2
InChIInChI=1S/C21H24ClN3O/c1-2-19-23-18-11-12-25(21(26)15-5-3-4-6-15)13-17(18)20(24-19)14-7-9-16(22)10-8-14/h7-10,15H,2-6,11-13H2,1H3
InChIKeyWCKHKJKUAXEMGF-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.43
Rot. Bonds3

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

[4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-cyclopentylmethanone (PubChem CID 134795466) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-cyclopentylmethanone
PubChem CID134795466
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name[4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-cyclopentylmethanone
SMILESCCc1nc2c(c(-c3ccc(Cl)cc3)n1)CN(C(=O)C1CCCC1)CC2
InChIInChI=1S/C21H24ClN3O/c1-2-19-23-18-11-12-25(21(26)15-5-3-4-6-15)13-17(18)20(24-19)14-7-9-16(22)10-8-14/h7-10,15H,2-6,11-13H2,1H3
InChIKeyWCKHKJKUAXEMGF-UHFFFAOYSA-N
XLogP4.43
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-cyclopentylmethanone?
The IUPAC name of [4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-cyclopentylmethanone (CID 134795466) is [4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-cyclopentylmethanone.
What is the SMILES notation for [4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-cyclopentylmethanone?
The canonical SMILES for [4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-cyclopentylmethanone is CCc1nc2c(c(-c3ccc(Cl)cc3)n1)CN(C(=O)C1CCCC1)CC2.
What is the InChIKey of [4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-cyclopentylmethanone?
The InChIKey is WCKHKJKUAXEMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c1-2-19-23-18-11-12-25(21(26)15-5-3-4-6-15)13-17(18)20(24-19)14-7-9-16(22)10-8-14/h7-10,15H,2-6,11-13H2,1H3.
What are the key properties of [4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-cyclopentylmethanone?
[4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-cyclopentylmethanone has a molecular weight of 369.90 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-2-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-cyclopentylmethanone is sourced from PubChem (CID 134795466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).