4-chloro-3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-methylchromen-2-one

C21H20ClN3O2 — CID 24912743

IUPAC4-chloro-3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-methylchromen-2-one
SMILESCc1ccc2oc(=O)c(CN3CCc4nc(C5CC5)ncc4C3)c(Cl)c2c1
InChIInChI=1S/C21H20ClN3O2/c1-12-2-5-18-15(8-12)19(22)16(21(26)27-18)11-25-7-6-17-14(10-25)9-23-20(24-17)13-3-4-13/h2,5,8-9,13H,3-4,6-7,10-11H2,1H3
InChIKeySHBJYFMHGHYXBT-UHFFFAOYSA-N
MW381.86 g/mol
LogP3.98
Rot. Bonds3

About 4-chloro-3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-methylchromen-2-one

4-chloro-3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-methylchromen-2-one (PubChem CID 24912743) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 4-chloro-3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-methylchromen-2-one.

Molecular Properties

Compound Name4-chloro-3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-methylchromen-2-one
PubChem CID24912743
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name4-chloro-3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-methylchromen-2-one
SMILESCc1ccc2oc(=O)c(CN3CCc4nc(C5CC5)ncc4C3)c(Cl)c2c1
InChIInChI=1S/C21H20ClN3O2/c1-12-2-5-18-15(8-12)19(22)16(21(26)27-18)11-25-7-6-17-14(10-25)9-23-20(24-17)13-3-4-13/h2,5,8-9,13H,3-4,6-7,10-11H2,1H3
InChIKeySHBJYFMHGHYXBT-UHFFFAOYSA-N
XLogP3.98
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 4-chloro-3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-methylchromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-dichloro-3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-2-one
CID 24912722
4-chloro-6-methyl-3-[(2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-2-one
CID 24912728
4-chloro-6-methyl-3-[(2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]chromen-2-one
CID 24912748
2-cyclopropyl-6-[(2,5-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928853
6-[(2-chloro-6-methylphenyl)methyl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929273
4-chloro-3-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]chromen-2-one
CID 24910359
6-[(6-chloro-4-methyl-3-pyridinyl)methyl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916607
4-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2,5-dimethyl-1,3-oxazole
CID 24913625
2-cyclopropyl-6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930113
2-cyclopropyl-6-[(2,6-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928937
2-chloro-5-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24911483
2-cyclohexyl-6-[(2,6-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929003

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-methylchromen-2-one?
The IUPAC name of 4-chloro-3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-methylchromen-2-one (CID 24912743) is 4-chloro-3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-methylchromen-2-one.
What is the SMILES notation for 4-chloro-3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-methylchromen-2-one?
The canonical SMILES for 4-chloro-3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-methylchromen-2-one is Cc1ccc2oc(=O)c(CN3CCc4nc(C5CC5)ncc4C3)c(Cl)c2c1.
What is the InChIKey of 4-chloro-3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-methylchromen-2-one?
The InChIKey is SHBJYFMHGHYXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-12-2-5-18-15(8-12)19(22)16(21(26)27-18)11-25-7-6-17-14(10-25)9-23-20(24-17)13-3-4-13/h2,5,8-9,13H,3-4,6-7,10-11H2,1H3.
What are the key properties of 4-chloro-3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-methylchromen-2-one?
4-chloro-3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-methylchromen-2-one has a molecular weight of 381.86 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-6-methylchromen-2-one is sourced from PubChem (CID 24912743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).