1-methyl-4-(oxan-4-yloxy)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrazolo[4,3-c]pyridine

C17H22N6O2 — CID 71037327

IUPAC1-methyl-4-(oxan-4-yloxy)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrazolo[4,3-c]pyridine
SMILESCC(C)c1nc(-c2nn(C)c3ccnc(OC4CCOCC4)c23)n[nH]1
InChIInChI=1S/C17H22N6O2/c1-10(2)15-19-16(21-20-15)14-13-12(23(3)22-14)4-7-18-17(13)25-11-5-8-24-9-6-11/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,19,20,21)
InChIKeySNPSPXRLTWFFNF-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.43
Rot. Bonds4

About 1-methyl-4-(oxan-4-yloxy)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrazolo[4,3-c]pyridine

1-methyl-4-(oxan-4-yloxy)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrazolo[4,3-c]pyridine (PubChem CID 71037327) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-methyl-4-(oxan-4-yloxy)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-methyl-4-(oxan-4-yloxy)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrazolo[4,3-c]pyridine
PubChem CID71037327
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name1-methyl-4-(oxan-4-yloxy)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrazolo[4,3-c]pyridine
SMILESCC(C)c1nc(-c2nn(C)c3ccnc(OC4CCOCC4)c23)n[nH]1
InChIInChI=1S/C17H22N6O2/c1-10(2)15-19-16(21-20-15)14-13-12(23(3)22-14)4-7-18-17(13)25-11-5-8-24-9-6-11/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,19,20,21)
InChIKeySNPSPXRLTWFFNF-UHFFFAOYSA-N
XLogP2.43
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(oxan-4-yloxy)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrazolo[4,3-c]pyridin-1-yl]thallium
CID 163440095
3-methyl-4-(oxan-4-yloxy)-2H-pyrazolo[4,3-c]pyridine
CID 59618824
3-iodo-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine;[4-[1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]phenyl]methanone
CID 159080527
3-(3H-benzimidazol-5-yl)-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine;1-methyl-4-(oxan-4-yloxy)-3-(1-propan-2-ylbenzimidazol-5-yl)pyrazolo[4,3-c]pyridine;1-methyl-4-(oxan-4-yloxy)-3-(3-propan-2-ylbenzimidazol-5-yl)pyrazolo[4,3-c]pyridine;4-(oxan-4-yloxy)-3-(1-propan-2-ylbenzimidazol-5-yl)-1H-pyrrolo[3,4-c]pyridine;4-(oxan-4-yloxy)-3-(3-propan-2-ylbenzimidazol-5-yl)-1H-pyrrolo[3,4-c]pyridine
CID 159998471
3-(2-methoxy-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
CID 56942365
4-[6-[4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine
CID 66825310
4-(oxan-4-yloxy)-3-(3-propan-2-ylbenzimidazol-5-yl)-1-tritylpyrazolo[4,3-c]pyridine
CID 71007805
3-(1H-indazol-5-yl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
CID 66826754
N-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide
CID 66828941
(1R,5S)-8-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 71007922
N-[[3-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]methyl]ethanamine
CID 105390729
3-(3H-isoindol-5-yl)-4-(oxan-4-yloxy)-1-tritylpyrazolo[4,3-c]pyridine
CID 66826839

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(oxan-4-yloxy)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrazolo[4,3-c]pyridine?
The IUPAC name of 1-methyl-4-(oxan-4-yloxy)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrazolo[4,3-c]pyridine (CID 71037327) is 1-methyl-4-(oxan-4-yloxy)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-methyl-4-(oxan-4-yloxy)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-methyl-4-(oxan-4-yloxy)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrazolo[4,3-c]pyridine is CC(C)c1nc(-c2nn(C)c3ccnc(OC4CCOCC4)c23)n[nH]1.
What is the InChIKey of 1-methyl-4-(oxan-4-yloxy)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrazolo[4,3-c]pyridine?
The InChIKey is SNPSPXRLTWFFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-10(2)15-19-16(21-20-15)14-13-12(23(3)22-14)4-7-18-17(13)25-11-5-8-24-9-6-11/h4,7,10-11H,5-6,8-9H2,1-3H3,(H,19,20,21).
What are the key properties of 1-methyl-4-(oxan-4-yloxy)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrazolo[4,3-c]pyridine?
1-methyl-4-(oxan-4-yloxy)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrazolo[4,3-c]pyridine has a molecular weight of 342.40 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(oxan-4-yloxy)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 71037327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).