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

C17H22N6O2 — CID 66829063

IUPAC4-(oxan-4-yloxy)-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-3-amine
SMILESCC(C)n1cc(Nc2n[nH]c3ccnc(OC4CCOCC4)c23)cn1
InChIInChI=1S/C17H22N6O2/c1-11(2)23-10-12(9-19-23)20-16-15-14(21-22-16)3-6-18-17(15)25-13-4-7-24-8-5-13/h3,6,9-11,13H,4-5,7-8H2,1-2H3,(H2,20,21,22)
InChIKeyWTRXTWGMIMZCTO-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.04
Rot. Bonds5

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

4-(oxan-4-yloxy)-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-3-amine (PubChem CID 66829063) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-(oxan-4-yloxy)-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-3-amine.

Molecular Properties

Compound Name4-(oxan-4-yloxy)-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-3-amine
PubChem CID66829063
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name4-(oxan-4-yloxy)-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-3-amine
SMILESCC(C)n1cc(Nc2n[nH]c3ccnc(OC4CCOCC4)c23)cn1
InChIInChI=1S/C17H22N6O2/c1-11(2)23-10-12(9-19-23)20-16-15-14(21-22-16)3-6-18-17(15)25-13-4-7-24-8-5-13/h3,6,9-11,13H,4-5,7-8H2,1-2H3,(H2,20,21,22)
InChIKeyWTRXTWGMIMZCTO-UHFFFAOYSA-N
XLogP3.04
TPSA89.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yloxy)-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-3-amine?
The IUPAC name of 4-(oxan-4-yloxy)-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-3-amine (CID 66829063) is 4-(oxan-4-yloxy)-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-3-amine.
What is the SMILES notation for 4-(oxan-4-yloxy)-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-3-amine?
The canonical SMILES for 4-(oxan-4-yloxy)-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-3-amine is CC(C)n1cc(Nc2n[nH]c3ccnc(OC4CCOCC4)c23)cn1.
What is the InChIKey of 4-(oxan-4-yloxy)-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-3-amine?
The InChIKey is WTRXTWGMIMZCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-11(2)23-10-12(9-19-23)20-16-15-14(21-22-16)3-6-18-17(15)25-13-4-7-24-8-5-13/h3,6,9-11,13H,4-5,7-8H2,1-2H3,(H2,20,21,22).
What are the key properties of 4-(oxan-4-yloxy)-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-3-amine?
4-(oxan-4-yloxy)-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-3-amine has a molecular weight of 342.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yloxy)-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-3-amine is sourced from PubChem (CID 66829063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).