7-[1-(3-chlorophenyl)pyrazole-4-carbonyl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

C19H18ClN5O2 — CID 126803034

IUPAC7-[1-(3-chlorophenyl)pyrazole-4-carbonyl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCn1cnc2c(c1=O)CCN(C(=O)c1cnn(-c3cccc(Cl)c3)c1)C2
InChIInChI=1S/C19H18ClN5O2/c1-2-23-12-21-17-11-24(7-6-16(17)19(23)27)18(26)13-9-22-25(10-13)15-5-3-4-14(20)8-15/h3-5,8-10,12H,2,6-7,11H2,1H3
InChIKeyBILPHAKWQAIHHW-UHFFFAOYSA-N
MW383.84 g/mol
LogP2.30
Rot. Bonds3

About 7-[1-(3-chlorophenyl)pyrazole-4-carbonyl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

7-[1-(3-chlorophenyl)pyrazole-4-carbonyl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 126803034) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is 7-[1-(3-chlorophenyl)pyrazole-4-carbonyl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[1-(3-chlorophenyl)pyrazole-4-carbonyl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID126803034
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC Name7-[1-(3-chlorophenyl)pyrazole-4-carbonyl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCn1cnc2c(c1=O)CCN(C(=O)c1cnn(-c3cccc(Cl)c3)c1)C2
InChIInChI=1S/C19H18ClN5O2/c1-2-23-12-21-17-11-24(7-6-16(17)19(23)27)18(26)13-9-22-25(10-13)15-5-3-4-14(20)8-15/h3-5,8-10,12H,2,6-7,11H2,1H3
InChIKeyBILPHAKWQAIHHW-UHFFFAOYSA-N
XLogP2.30
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(3-chlorophenyl)pyrazole-4-carbonyl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[1-(3-chlorophenyl)pyrazole-4-carbonyl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (CID 126803034) is 7-[1-(3-chlorophenyl)pyrazole-4-carbonyl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[1-(3-chlorophenyl)pyrazole-4-carbonyl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[1-(3-chlorophenyl)pyrazole-4-carbonyl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is CCn1cnc2c(c1=O)CCN(C(=O)c1cnn(-c3cccc(Cl)c3)c1)C2.
What is the InChIKey of 7-[1-(3-chlorophenyl)pyrazole-4-carbonyl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is BILPHAKWQAIHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c1-2-23-12-21-17-11-24(7-6-16(17)19(23)27)18(26)13-9-22-25(10-13)15-5-3-4-14(20)8-15/h3-5,8-10,12H,2,6-7,11H2,1H3.
What are the key properties of 7-[1-(3-chlorophenyl)pyrazole-4-carbonyl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
7-[1-(3-chlorophenyl)pyrazole-4-carbonyl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 383.84 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(3-chlorophenyl)pyrazole-4-carbonyl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 126803034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).