2-cyclopropyl-4-(difluoromethoxy)-6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C23H20F3N7O — CID 91799504

IUPAC2-cyclopropyl-4-(difluoromethoxy)-6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1nc(-c2ccccc2F)c2c(N3CCc4nc(C5CC5)nc(OC(F)F)c4C3)ncnn12
InChIInChI=1S/C23H20F3N7O/c1-12-29-18(14-4-2-3-5-16(14)24)19-21(27-11-28-33(12)19)32-9-8-17-15(10-32)22(34-23(25)26)31-20(30-17)13-6-7-13/h2-5,11,13,23H,6-10H2,1H3
InChIKeyPATIWVULDURMMG-UHFFFAOYSA-N
MW467.46 g/mol
LogP4.07
Rot. Bonds5

About 2-cyclopropyl-4-(difluoromethoxy)-6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-cyclopropyl-4-(difluoromethoxy)-6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 91799504) has the molecular formula C23H20F3N7O and a molecular weight of 467.46 g/mol. Its IUPAC name is 2-cyclopropyl-4-(difluoromethoxy)-6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-(difluoromethoxy)-6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID91799504
Molecular FormulaC23H20F3N7O
Molecular Weight467.46 g/mol
Exact Mass467.17
IUPAC Name2-cyclopropyl-4-(difluoromethoxy)-6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1nc(-c2ccccc2F)c2c(N3CCc4nc(C5CC5)nc(OC(F)F)c4C3)ncnn12
InChIInChI=1S/C23H20F3N7O/c1-12-29-18(14-4-2-3-5-16(14)24)19-21(27-11-28-33(12)19)32-9-8-17-15(10-32)22(34-23(25)26)31-20(30-17)13-6-7-13/h2-5,11,13,23H,6-10H2,1H3
InChIKeyPATIWVULDURMMG-UHFFFAOYSA-N
XLogP4.07
TPSA81.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.46
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-cyclopropyl-4-(difluoromethoxy)-6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(difluoromethoxy)-6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-cyclopropyl-4-(difluoromethoxy)-6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 91799504) is 2-cyclopropyl-4-(difluoromethoxy)-6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-(difluoromethoxy)-6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-cyclopropyl-4-(difluoromethoxy)-6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1nc(-c2ccccc2F)c2c(N3CCc4nc(C5CC5)nc(OC(F)F)c4C3)ncnn12.
What is the InChIKey of 2-cyclopropyl-4-(difluoromethoxy)-6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is PATIWVULDURMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N7O/c1-12-29-18(14-4-2-3-5-16(14)24)19-21(27-11-28-33(12)19)32-9-8-17-15(10-32)22(34-23(25)26)31-20(30-17)13-6-7-13/h2-5,11,13,23H,6-10H2,1H3.
What are the key properties of 2-cyclopropyl-4-(difluoromethoxy)-6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-cyclopropyl-4-(difluoromethoxy)-6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 467.46 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(difluoromethoxy)-6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 91799504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).