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

C22H22FN7 — CID 91799496

IUPAC4-ethyl-6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCc1nc(C)nc2c1CN(c1ncnn3c(C)nc(-c4ccccc4F)c13)CC2
InChIInChI=1S/C22H22FN7/c1-4-18-16-11-29(10-9-19(16)27-13(2)26-18)22-21-20(15-7-5-6-8-17(15)23)28-14(3)30(21)25-12-24-22/h5-8,12H,4,9-11H2,1-3H3
InChIKeyLFCHKMNFRYPXRL-UHFFFAOYSA-N
MW403.47 g/mol
LogP3.46
Rot. Bonds3

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

4-ethyl-6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 91799496) has the molecular formula C22H22FN7 and a molecular weight of 403.47 g/mol. Its IUPAC name is 4-ethyl-6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-ethyl-6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID91799496
Molecular FormulaC22H22FN7
Molecular Weight403.47 g/mol
Exact Mass403.19
IUPAC Name4-ethyl-6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCc1nc(C)nc2c1CN(c1ncnn3c(C)nc(-c4ccccc4F)c13)CC2
InChIInChI=1S/C22H22FN7/c1-4-18-16-11-29(10-9-19(16)27-13(2)26-18)22-21-20(15-7-5-6-8-17(15)23)28-14(3)30(21)25-12-24-22/h5-8,12H,4,9-11H2,1-3H3
InChIKeyLFCHKMNFRYPXRL-UHFFFAOYSA-N
XLogP3.46
TPSA72.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 4-ethyl-6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 91799496) is 4-ethyl-6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-ethyl-6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-ethyl-6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCc1nc(C)nc2c1CN(c1ncnn3c(C)nc(-c4ccccc4F)c13)CC2.
What is the InChIKey of 4-ethyl-6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is LFCHKMNFRYPXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7/c1-4-18-16-11-29(10-9-19(16)27-13(2)26-18)22-21-20(15-7-5-6-8-17(15)23)28-14(3)30(21)25-12-24-22/h5-8,12H,4,9-11H2,1-3H3.
What are the key properties of 4-ethyl-6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
4-ethyl-6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 403.47 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 91799496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).