4-(1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine

C18H23N7O — CID 91799526

IUPAC4-(1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine
SMILESCCn1ncc2c1CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2
InChIInChI=1S/C18H23N7O/c1-3-24-15-9-23(6-4-13(15)8-20-24)18-17-16(14-5-7-26-10-14)22-12(2)25(17)21-11-19-18/h8,11,14H,3-7,9-10H2,1-2H3/t14-/m1/s1
InChIKeyBVUSATBJYUTGJS-CQSZACIVSA-N
MW353.43 g/mol
LogP1.72
Rot. Bonds3

About 4-(1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine

4-(1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine (PubChem CID 91799526) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-(1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine.

Molecular Properties

Compound Name4-(1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine
PubChem CID91799526
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name4-(1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine
SMILESCCn1ncc2c1CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2
InChIInChI=1S/C18H23N7O/c1-3-24-15-9-23(6-4-13(15)8-20-24)18-17-16(14-5-7-26-10-14)22-12(2)25(17)21-11-19-18/h8,11,14H,3-7,9-10H2,1-2H3/t14-/m1/s1
InChIKeyBVUSATBJYUTGJS-CQSZACIVSA-N
XLogP1.72
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine?
The IUPAC name of 4-(1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine (CID 91799526) is 4-(1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine.
What is the SMILES notation for 4-(1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine?
The canonical SMILES for 4-(1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine is CCn1ncc2c1CN(c1ncnn3c(C)nc([C@@H]4CCOC4)c13)CC2.
What is the InChIKey of 4-(1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine?
The InChIKey is BVUSATBJYUTGJS-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N7O/c1-3-24-15-9-23(6-4-13(15)8-20-24)18-17-16(14-5-7-26-10-14)22-12(2)25(17)21-11-19-18/h8,11,14H,3-7,9-10H2,1-2H3/t14-/m1/s1.
What are the key properties of 4-(1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine?
4-(1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine has a molecular weight of 353.43 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-7-methyl-5-[(3S)-oxolan-3-yl]imidazo[5,1-f][1,2,4]triazine is sourced from PubChem (CID 91799526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).