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

C22H19ClFN7 — CID 91799540

IUPAC6-[5-(2-chloro-4-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1nc(-c2ccc(F)cc2Cl)c2c(N3CCc4nc(C5CC5)ncc4C3)ncnn12
InChIInChI=1S/C22H19ClFN7/c1-12-28-19(16-5-4-15(24)8-17(16)23)20-22(26-11-27-31(12)20)30-7-6-18-14(10-30)9-25-21(29-18)13-2-3-13/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3
InChIKeyQZJCVZCHEHLGQZ-UHFFFAOYSA-N
MW435.89 g/mol
LogP4.12
Rot. Bonds3

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

6-[5-(2-chloro-4-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 91799540) has the molecular formula C22H19ClFN7 and a molecular weight of 435.89 g/mol. Its IUPAC name is 6-[5-(2-chloro-4-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[5-(2-chloro-4-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID91799540
Molecular FormulaC22H19ClFN7
Molecular Weight435.89 g/mol
Exact Mass435.14
IUPAC Name6-[5-(2-chloro-4-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1nc(-c2ccc(F)cc2Cl)c2c(N3CCc4nc(C5CC5)ncc4C3)ncnn12
InChIInChI=1S/C22H19ClFN7/c1-12-28-19(16-5-4-15(24)8-17(16)23)20-22(26-11-27-31(12)20)30-7-6-18-14(10-30)9-25-21(29-18)13-2-3-13/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3
InChIKeyQZJCVZCHEHLGQZ-UHFFFAOYSA-N
XLogP4.12
TPSA72.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.89
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-chloro-4-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[5-(2-chloro-4-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 91799540) is 6-[5-(2-chloro-4-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[5-(2-chloro-4-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[5-(2-chloro-4-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1nc(-c2ccc(F)cc2Cl)c2c(N3CCc4nc(C5CC5)ncc4C3)ncnn12.
What is the InChIKey of 6-[5-(2-chloro-4-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is QZJCVZCHEHLGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN7/c1-12-28-19(16-5-4-15(24)8-17(16)23)20-22(26-11-27-31(12)20)30-7-6-18-14(10-30)9-25-21(29-18)13-2-3-13/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3.
What are the key properties of 6-[5-(2-chloro-4-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[5-(2-chloro-4-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 435.89 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-chloro-4-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 91799540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).