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

C20H25N7O — CID 91799497

IUPAC4-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
SMILESCCc1nc(C)nc2c1CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2
InChIInChI=1S/C20H25N7O/c1-4-16-15-9-26(7-5-17(15)24-12(2)23-16)20-19-18(14-6-8-28-10-14)25-13(3)27(19)22-11-21-20/h11,14H,4-10H2,1-3H3/t14-/m1/s1
InChIKeyXIIJNVWHEATJOT-CQSZACIVSA-N
MW379.47 g/mol
LogP2.16
Rot. Bonds3

About 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

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 (PubChem CID 91799497) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID91799497
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name4-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
SMILESCCc1nc(C)nc2c1CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2
InChIInChI=1S/C20H25N7O/c1-4-16-15-9-26(7-5-17(15)24-12(2)23-16)20-19-18(14-6-8-28-10-14)25-13(3)27(19)22-11-21-20/h11,14H,4-10H2,1-3H3/t14-/m1/s1
InChIKeyXIIJNVWHEATJOT-CQSZACIVSA-N
XLogP2.16
TPSA81.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
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
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
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
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
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
N'-methanimidoyl-N-methyl-N-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]methanimidamide
CID 158036810
tert-butyl 3-(cyclopropanecarbonyl)-4-oxopiperidine-1-carboxylate;tert-butyl 3-cyclopropyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine-1-carboxylate;cyclopropanecarbonyl chloride;3-cyclopropyl-5-[7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;3-cyclopropyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine;bis(N-ethyl-N-propan-2-ylpropan-2-amine);heptadeca-1,3,5,7,9,11,13,15-octayne;methane;7-methyl-5-[(3S)-oxolan-3-yl]-4-(1,2,4-triazol-1-yl)imidazo[5,1-f][1,2,4]triazine;nonacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecayne;octacosa-2,4,6,8,10,12,14,16,18,20,22,24,26-tridecayne;triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecayne;dihydrochloride
CID 158644744
4-[(3S)-oxolan-3-yl]-7-pyrimidin-2-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 97381312
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-methyl-4-(oxan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 83850597

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1nc(C)nc2c1CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2.
What is the InChIKey of 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?
The InChIKey is XIIJNVWHEATJOT-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25N7O/c1-4-16-15-9-26(7-5-17(15)24-12(2)23-16)20-19-18(14-6-8-28-10-14)25-13(3)27(19)22-11-21-20/h11,14H,4-10H2,1-3H3/t14-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 379.47 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91799497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).