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

C18H23N7O — CID 118570004

IUPAC4-(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
SMILESCc1nn(C)c2c1CN(c1ncnn3c(C)nc([C@H]4CCCO4)c13)CC2
InChIInChI=1S/C18H23N7O/c1-11-13-9-24(7-6-14(13)23(3)22-11)18-17-16(15-5-4-8-26-15)21-12(2)25(17)20-10-19-18/h10,15H,4-9H2,1-3H3/t15-/m1/s1
InChIKeyJLRPMFQVLXAVFD-OAHLLOKOSA-N
MW353.43 g/mol
LogP1.89
Rot. Bonds2

About 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

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 (PubChem CID 118570004) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID118570004
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name4-(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
SMILESCc1nn(C)c2c1CN(c1ncnn3c(C)nc([C@H]4CCCO4)c13)CC2
InChIInChI=1S/C18H23N7O/c1-11-13-9-24(7-6-14(13)23(3)22-11)18-17-16(15-5-4-8-26-15)21-12(2)25(17)20-10-19-18/h10,15H,4-9H2,1-3H3/t15-/m1/s1
InChIKeyJLRPMFQVLXAVFD-OAHLLOKOSA-N
XLogP1.89
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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-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
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-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-(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
7-methyl-5-(oxolan-2-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 136984160
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
1-methyl-3-(oxolan-2-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 83848512
7-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 75373079
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
1-methyl-3-(oxolan-2-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
CID 83847341
1,6-dimethyl-4-[3-methyl-1-[(4-piperidin-1-yl-1-bicyclo[2.2.2]octanyl)methyl]-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]pyrazolo[5,4-d]pyrimidine
CID 138734556

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nn(C)c2c1CN(c1ncnn3c(C)nc([C@H]4CCCO4)c13)CC2.
What is the InChIKey of 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?
The InChIKey is JLRPMFQVLXAVFD-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N7O/c1-11-13-9-24(7-6-14(13)23(3)22-11)18-17-16(15-5-4-8-26-15)21-12(2)25(17)20-10-19-18/h10,15H,4-9H2,1-3H3/t15-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 353.43 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118570004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).