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

C22H29N7O2 — CID 129295082

IUPAC2-cyclopropyl-4-ethoxy-6-[5-(3-methoxypropyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCOc1nc(C2CC2)nc2c1CN(c1ncnn3c(C)nc(CCCOC)c13)CC2
InChIInChI=1S/C22H29N7O2/c1-4-31-22-16-12-28(10-9-17(16)26-20(27-22)15-7-8-15)21-19-18(6-5-11-30-3)25-14(2)29(19)24-13-23-21/h13,15H,4-12H2,1-3H3
InChIKeyLJMDVZOREWSJFF-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.64
Rot. Bonds8

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

2-cyclopropyl-4-ethoxy-6-[5-(3-methoxypropyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 129295082) has the molecular formula C22H29N7O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-cyclopropyl-4-ethoxy-6-[5-(3-methoxypropyl)-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-ethoxy-6-[5-(3-methoxypropyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID129295082
Molecular FormulaC22H29N7O2
Molecular Weight423.52 g/mol
Exact Mass423.24
IUPAC Name2-cyclopropyl-4-ethoxy-6-[5-(3-methoxypropyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCOc1nc(C2CC2)nc2c1CN(c1ncnn3c(C)nc(CCCOC)c13)CC2
InChIInChI=1S/C22H29N7O2/c1-4-31-22-16-12-28(10-9-17(16)26-20(27-22)15-7-8-15)21-19-18(6-5-11-30-3)25-14(2)29(19)24-13-23-21/h13,15H,4-12H2,1-3H3
InChIKeyLJMDVZOREWSJFF-UHFFFAOYSA-N
XLogP2.64
TPSA90.56 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

2-cyclopropyl-4-ethyl-6-[7-methyl-5-(oxolan-3-yl)imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 123591583
4-ethyl-2-methyl-6-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 91799497
2-cyclopropyl-4-ethoxy-7-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 11651708
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
2,4-dimethyl-6-[7-methyl-5-(oxolan-3-yl)imidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 123675759
2-cyclopropyl-4-ethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 105474414
4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methyl-5-[(3R)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine
CID 91799392
4-(1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-7-methyl-5-[(2R)-oxolan-2-yl]imidazo[5,1-f][1,2,4]triazine
CID 118570004
6-methoxy-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 91799424
6-cyclopropyl-2-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-3,4-dihydro-1H-2,7-naphthyridine
CID 91799522
2-cyclobutyl-4-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 105474416
2-cyclopentyl-4-ethoxy-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 105493384

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-ethoxy-6-[5-(3-methoxypropyl)-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-ethoxy-6-[5-(3-methoxypropyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 129295082) is 2-cyclopropyl-4-ethoxy-6-[5-(3-methoxypropyl)-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-ethoxy-6-[5-(3-methoxypropyl)-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-ethoxy-6-[5-(3-methoxypropyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCOc1nc(C2CC2)nc2c1CN(c1ncnn3c(C)nc(CCCOC)c13)CC2.
What is the InChIKey of 2-cyclopropyl-4-ethoxy-6-[5-(3-methoxypropyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is LJMDVZOREWSJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O2/c1-4-31-22-16-12-28(10-9-17(16)26-20(27-22)15-7-8-15)21-19-18(6-5-11-30-3)25-14(2)29(19)24-13-23-21/h13,15H,4-12H2,1-3H3.
What are the key properties of 2-cyclopropyl-4-ethoxy-6-[5-(3-methoxypropyl)-7-methylimidazo[5,1-f][1,2,4]triazin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-cyclopropyl-4-ethoxy-6-[5-(3-methoxypropyl)-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 423.52 g/mol, XLogP of 2.64, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-ethoxy-6-[5-(3-methoxypropyl)-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 129295082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).