2-cyclopropyl-6-[7-methyl-5-(2-methylpropyl)imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C20H25N7 — CID 91799421

IUPAC2-cyclopropyl-6-[7-methyl-5-(2-methylpropyl)imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1nc(CC(C)C)c2c(N3CCc4nc(C5CC5)ncc4C3)ncnn12
InChIInChI=1S/C20H25N7/c1-12(2)8-17-18-20(22-11-23-27(18)13(3)24-17)26-7-6-16-15(10-26)9-21-19(25-16)14-4-5-14/h9,11-12,14H,4-8,10H2,1-3H3
InChIKeyXMIYMGKNFBVPTI-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.86
Rot. Bonds4

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

2-cyclopropyl-6-[7-methyl-5-(2-methylpropyl)imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 91799421) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is 2-cyclopropyl-6-[7-methyl-5-(2-methylpropyl)imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-6-[7-methyl-5-(2-methylpropyl)imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID91799421
Molecular FormulaC20H25N7
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC Name2-cyclopropyl-6-[7-methyl-5-(2-methylpropyl)imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1nc(CC(C)C)c2c(N3CCc4nc(C5CC5)ncc4C3)ncnn12
InChIInChI=1S/C20H25N7/c1-12(2)8-17-18-20(22-11-23-27(18)13(3)24-17)26-7-6-16-15(10-26)9-21-19(25-16)14-4-5-14/h9,11-12,14H,4-8,10H2,1-3H3
InChIKeyXMIYMGKNFBVPTI-UHFFFAOYSA-N
XLogP2.86
TPSA72.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[7-methyl-5-(2-methylpropyl)imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-cyclopropyl-6-[7-methyl-5-(2-methylpropyl)imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 91799421) is 2-cyclopropyl-6-[7-methyl-5-(2-methylpropyl)imidazo[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-6-[7-methyl-5-(2-methylpropyl)imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-cyclopropyl-6-[7-methyl-5-(2-methylpropyl)imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1nc(CC(C)C)c2c(N3CCc4nc(C5CC5)ncc4C3)ncnn12.
What is the InChIKey of 2-cyclopropyl-6-[7-methyl-5-(2-methylpropyl)imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is XMIYMGKNFBVPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7/c1-12(2)8-17-18-20(22-11-23-27(18)13(3)24-17)26-7-6-16-15(10-26)9-21-19(25-16)14-4-5-14/h9,11-12,14H,4-8,10H2,1-3H3.
What are the key properties of 2-cyclopropyl-6-[7-methyl-5-(2-methylpropyl)imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-cyclopropyl-6-[7-methyl-5-(2-methylpropyl)imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 363.47 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[7-methyl-5-(2-methylpropyl)imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 91799421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).