2-cyclopropyl-6-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C21H20FN3S — CID 24915578

IUPAC2-cyclopropyl-6-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFc1ccc(-c2ccc(CN3CCc4nc(C5CC5)ncc4C3)s2)cc1
InChIInChI=1S/C21H20FN3S/c22-17-5-3-14(4-6-17)20-8-7-18(26-20)13-25-10-9-19-16(12-25)11-23-21(24-19)15-1-2-15/h3-8,11,15H,1-2,9-10,12-13H2
InChIKeyCBQSZLAGPKACTN-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.78
Rot. Bonds4

About 2-cyclopropyl-6-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-cyclopropyl-6-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24915578) has the molecular formula C21H20FN3S and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-cyclopropyl-6-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-6-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24915578
Molecular FormulaC21H20FN3S
Molecular Weight365.48 g/mol
Exact Mass365.14
IUPAC Name2-cyclopropyl-6-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESFc1ccc(-c2ccc(CN3CCc4nc(C5CC5)ncc4C3)s2)cc1
InChIInChI=1S/C21H20FN3S/c22-17-5-3-14(4-6-17)20-8-7-18(26-20)13-25-10-9-19-16(12-25)11-23-21(24-19)15-1-2-15/h3-8,11,15H,1-2,9-10,12-13H2
InChIKeyCBQSZLAGPKACTN-UHFFFAOYSA-N
XLogP4.78
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-6-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine 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

5-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-(4-fluorophenyl)-1,3-thiazole
CID 24915098
2-cyclopropyl-6-[(5-nitrothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908819
2-chloro-5-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24911483
2-cyclopropyl-6-[(2,6-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928937
2-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,3-thiazole
CID 24912494
6-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911725
6-[(5-phenylthiophen-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911338
2-pyridin-4-yl-6-[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915697
2-propan-2-yl-6-[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915691
2-cyclopropyl-6-[[6-(2,5-difluorophenyl)-3-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914549
3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzene-1,2-diol
CID 24928286
2-cyclopropyl-6-[(2,5-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928853

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-cyclopropyl-6-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24915578) is 2-cyclopropyl-6-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-cyclopropyl-6-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-cyclopropyl-6-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Fc1ccc(-c2ccc(CN3CCc4nc(C5CC5)ncc4C3)s2)cc1.
What is the InChIKey of 2-cyclopropyl-6-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is CBQSZLAGPKACTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3S/c22-17-5-3-14(4-6-17)20-8-7-18(26-20)13-25-10-9-19-16(12-25)11-23-21(24-19)15-1-2-15/h3-8,11,15H,1-2,9-10,12-13H2.
What are the key properties of 2-cyclopropyl-6-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-cyclopropyl-6-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 365.48 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24915578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).