3-(5-ethyl-1-methylpyrazol-3-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine

C17H22N6O — CID 71548179

IUPAC3-(5-ethyl-1-methylpyrazol-3-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
SMILESCCc1cc(-c2n[nH]c3ccnc(NC4CCOCC4)c23)nn1C
InChIInChI=1S/C17H22N6O/c1-3-12-10-14(22-23(12)2)16-15-13(20-21-16)4-7-18-17(15)19-11-5-8-24-9-6-11/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyZJKNPSNJHGGBOR-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.51
Rot. Bonds4

About 3-(5-ethyl-1-methylpyrazol-3-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine

3-(5-ethyl-1-methylpyrazol-3-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine (PubChem CID 71548179) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-(5-ethyl-1-methylpyrazol-3-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

Compound Name3-(5-ethyl-1-methylpyrazol-3-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
PubChem CID71548179
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name3-(5-ethyl-1-methylpyrazol-3-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
SMILESCCc1cc(-c2n[nH]c3ccnc(NC4CCOCC4)c23)nn1C
InChIInChI=1S/C17H22N6O/c1-3-12-10-14(22-23(12)2)16-15-13(20-21-16)4-7-18-17(15)19-11-5-8-24-9-6-11/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyZJKNPSNJHGGBOR-UHFFFAOYSA-N
XLogP2.51
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1-methylpyrazol-3-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of 3-(5-ethyl-1-methylpyrazol-3-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine (CID 71548179) is 3-(5-ethyl-1-methylpyrazol-3-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine.
What is the SMILES notation for 3-(5-ethyl-1-methylpyrazol-3-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for 3-(5-ethyl-1-methylpyrazol-3-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine is CCc1cc(-c2n[nH]c3ccnc(NC4CCOCC4)c23)nn1C.
What is the InChIKey of 3-(5-ethyl-1-methylpyrazol-3-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is ZJKNPSNJHGGBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-3-12-10-14(22-23(12)2)16-15-13(20-21-16)4-7-18-17(15)19-11-5-8-24-9-6-11/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 3-(5-ethyl-1-methylpyrazol-3-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine?
3-(5-ethyl-1-methylpyrazol-3-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 326.40 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1-methylpyrazol-3-yl)-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 71548179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).