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

C18H24N6O — CID 56941360

IUPAC3-[1-(2-methylpropyl)pyrazol-4-yl]-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
SMILESCC(C)Cn1cc(-c2n[nH]c3ccnc(NC4CCOCC4)c23)cn1
InChIInChI=1S/C18H24N6O/c1-12(2)10-24-11-13(9-20-24)17-16-15(22-23-17)3-6-19-18(16)21-14-4-7-25-8-5-14/h3,6,9,11-12,14H,4-5,7-8,10H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyMLGPDZDUXHZFHD-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.07
Rot. Bonds5

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

3-[1-(2-methylpropyl)pyrazol-4-yl]-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine (PubChem CID 56941360) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-[1-(2-methylpropyl)pyrazol-4-yl]-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

Compound Name3-[1-(2-methylpropyl)pyrazol-4-yl]-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
PubChem CID56941360
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name3-[1-(2-methylpropyl)pyrazol-4-yl]-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
SMILESCC(C)Cn1cc(-c2n[nH]c3ccnc(NC4CCOCC4)c23)cn1
InChIInChI=1S/C18H24N6O/c1-12(2)10-24-11-13(9-20-24)17-16-15(22-23-17)3-6-19-18(16)21-14-4-7-25-8-5-14/h3,6,9,11-12,14H,4-5,7-8,10H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyMLGPDZDUXHZFHD-UHFFFAOYSA-N
XLogP3.07
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylpropyl)pyrazol-4-yl]-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of 3-[1-(2-methylpropyl)pyrazol-4-yl]-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine (CID 56941360) is 3-[1-(2-methylpropyl)pyrazol-4-yl]-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine.
What is the SMILES notation for 3-[1-(2-methylpropyl)pyrazol-4-yl]-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for 3-[1-(2-methylpropyl)pyrazol-4-yl]-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine is CC(C)Cn1cc(-c2n[nH]c3ccnc(NC4CCOCC4)c23)cn1.
What is the InChIKey of 3-[1-(2-methylpropyl)pyrazol-4-yl]-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is MLGPDZDUXHZFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-12(2)10-24-11-13(9-20-24)17-16-15(22-23-17)3-6-19-18(16)21-14-4-7-25-8-5-14/h3,6,9,11-12,14H,4-5,7-8,10H2,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 3-[1-(2-methylpropyl)pyrazol-4-yl]-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine?
3-[1-(2-methylpropyl)pyrazol-4-yl]-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 340.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylpropyl)pyrazol-4-yl]-N-(oxan-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 56941360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).