3-(aminomethyl)-1-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-ol

C19H20N8O — CID 72714859

IUPAC3-(aminomethyl)-1-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-ol
SMILESCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CC(O)(CN)C3)n2)cn1
InChIInChI=1S/C19H20N8O/c1-25-9-14(8-22-25)15-5-16-13(6-21-15)7-23-27(16)18-4-2-3-17(24-18)26-11-19(28,10-20)12-26/h2-9,28H,10-12,20H2,1H3
InChIKeyVAVQNJHKKJAMJE-UHFFFAOYSA-N
MW376.42 g/mol
LogP0.73
Rot. Bonds4

About 3-(aminomethyl)-1-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-ol

3-(aminomethyl)-1-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-ol (PubChem CID 72714859) has the molecular formula C19H20N8O and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-(aminomethyl)-1-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-1-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-ol
PubChem CID72714859
Molecular FormulaC19H20N8O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name3-(aminomethyl)-1-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-ol
SMILESCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CC(O)(CN)C3)n2)cn1
InChIInChI=1S/C19H20N8O/c1-25-9-14(8-22-25)15-5-16-13(6-21-15)7-23-27(16)18-4-2-3-17(24-18)26-11-19(28,10-20)12-26/h2-9,28H,10-12,20H2,1H3
InChIKeyVAVQNJHKKJAMJE-UHFFFAOYSA-N
XLogP0.73
TPSA110.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-ol?
The IUPAC name of 3-(aminomethyl)-1-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-ol (CID 72714859) is 3-(aminomethyl)-1-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-ol.
What is the SMILES notation for 3-(aminomethyl)-1-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-ol?
The canonical SMILES for 3-(aminomethyl)-1-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-ol is Cn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CC(O)(CN)C3)n2)cn1.
What is the InChIKey of 3-(aminomethyl)-1-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-ol?
The InChIKey is VAVQNJHKKJAMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O/c1-25-9-14(8-22-25)15-5-16-13(6-21-15)7-23-27(16)18-4-2-3-17(24-18)26-11-19(28,10-20)12-26/h2-9,28H,10-12,20H2,1H3.
What are the key properties of 3-(aminomethyl)-1-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-ol?
3-(aminomethyl)-1-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-ol has a molecular weight of 376.42 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-[6-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]azetidin-3-ol is sourced from PubChem (CID 72714859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).