N-(oxan-4-yl)-3-(1-propan-2-yltriazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine

C16H21N7O — CID 71736610

IUPACN-(oxan-4-yl)-3-(1-propan-2-yltriazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
SMILESCC(C)n1cc(-c2n[nH]c3ccnc(NC4CCOCC4)c23)nn1
InChIInChI=1S/C16H21N7O/c1-10(2)23-9-13(20-22-23)15-14-12(19-21-15)3-6-17-16(14)18-11-4-7-24-8-5-11/h3,6,9-11H,4-5,7-8H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyCFPBGXJXTBQODU-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.39
Rot. Bonds4

About N-(oxan-4-yl)-3-(1-propan-2-yltriazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine

N-(oxan-4-yl)-3-(1-propan-2-yltriazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine (PubChem CID 71736610) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is N-(oxan-4-yl)-3-(1-propan-2-yltriazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(oxan-4-yl)-3-(1-propan-2-yltriazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
PubChem CID71736610
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC NameN-(oxan-4-yl)-3-(1-propan-2-yltriazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
SMILESCC(C)n1cc(-c2n[nH]c3ccnc(NC4CCOCC4)c23)nn1
InChIInChI=1S/C16H21N7O/c1-10(2)23-9-13(20-22-23)15-14-12(19-21-15)3-6-17-16(14)18-11-4-7-24-8-5-11/h3,6,9-11H,4-5,7-8H2,1-2H3,(H,17,18)(H,19,21)
InChIKeyCFPBGXJXTBQODU-UHFFFAOYSA-N
XLogP2.39
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-3-(1-propan-2-yltriazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of N-(oxan-4-yl)-3-(1-propan-2-yltriazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine (CID 71736610) is N-(oxan-4-yl)-3-(1-propan-2-yltriazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine.
What is the SMILES notation for N-(oxan-4-yl)-3-(1-propan-2-yltriazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for N-(oxan-4-yl)-3-(1-propan-2-yltriazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine is CC(C)n1cc(-c2n[nH]c3ccnc(NC4CCOCC4)c23)nn1.
What is the InChIKey of N-(oxan-4-yl)-3-(1-propan-2-yltriazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is CFPBGXJXTBQODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c1-10(2)23-9-13(20-22-23)15-14-12(19-21-15)3-6-17-16(14)18-11-4-7-24-8-5-11/h3,6,9-11H,4-5,7-8H2,1-2H3,(H,17,18)(H,19,21).
What are the key properties of N-(oxan-4-yl)-3-(1-propan-2-yltriazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine?
N-(oxan-4-yl)-3-(1-propan-2-yltriazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 327.39 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-3-(1-propan-2-yltriazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 71736610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).