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

C21H29N7O — CID 86281207

IUPAC7-methyl-4-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazine
SMILESCc1nc(C2CCOCC2)c2c(N3CCc4c(c(C(C)C)nn4C)C3)ncnn12
InChIInChI=1S/C21H29N7O/c1-13(2)18-16-11-27(8-5-17(16)26(4)25-18)21-20-19(15-6-9-29-10-7-15)24-14(3)28(20)23-12-22-21/h12-13,15H,5-11H2,1-4H3
InChIKeyLWTJSNAZZKYABX-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.75
Rot. Bonds3

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

7-methyl-4-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazine (PubChem CID 86281207) has the molecular formula C21H29N7O and a molecular weight of 395.51 g/mol. Its IUPAC name is 7-methyl-4-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazine.

Molecular Properties

Compound Name7-methyl-4-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazine
PubChem CID86281207
Molecular FormulaC21H29N7O
Molecular Weight395.51 g/mol
Exact Mass395.24
IUPAC Name7-methyl-4-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazine
SMILESCc1nc(C2CCOCC2)c2c(N3CCc4c(c(C(C)C)nn4C)C3)ncnn12
InChIInChI=1S/C21H29N7O/c1-13(2)18-16-11-27(8-5-17(16)26(4)25-18)21-20-19(15-6-9-29-10-7-15)24-14(3)28(20)23-12-22-21/h12-13,15H,5-11H2,1-4H3
InChIKeyLWTJSNAZZKYABX-UHFFFAOYSA-N
XLogP2.75
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazine?
The IUPAC name of 7-methyl-4-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazine (CID 86281207) is 7-methyl-4-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazine.
What is the SMILES notation for 7-methyl-4-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazine?
The canonical SMILES for 7-methyl-4-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazine is Cc1nc(C2CCOCC2)c2c(N3CCc4c(c(C(C)C)nn4C)C3)ncnn12.
What is the InChIKey of 7-methyl-4-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazine?
The InChIKey is LWTJSNAZZKYABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O/c1-13(2)18-16-11-27(8-5-17(16)26(4)25-18)21-20-19(15-6-9-29-10-7-15)24-14(3)28(20)23-12-22-21/h12-13,15H,5-11H2,1-4H3.
What are the key properties of 7-methyl-4-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazine?
7-methyl-4-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazine has a molecular weight of 395.51 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazine is sourced from PubChem (CID 86281207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).