4-phenylmethoxy-1H-pyrazolo[4,3-c]pyridin-3-amine

C13H12N4O — CID 90462189

IUPAC4-phenylmethoxy-1H-pyrazolo[4,3-c]pyridin-3-amine
SMILESNc1n[nH]c2ccnc(OCc3ccccc3)c12
InChIInChI=1S/C13H12N4O/c14-12-11-10(16-17-12)6-7-15-13(11)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H3,14,16,17)
InChIKeyXAOCPULRMFPHEN-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.12
Rot. Bonds3

About 4-phenylmethoxy-1H-pyrazolo[4,3-c]pyridin-3-amine

4-phenylmethoxy-1H-pyrazolo[4,3-c]pyridin-3-amine (PubChem CID 90462189) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-phenylmethoxy-1H-pyrazolo[4,3-c]pyridin-3-amine.

Molecular Properties

Compound Name4-phenylmethoxy-1H-pyrazolo[4,3-c]pyridin-3-amine
PubChem CID90462189
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name4-phenylmethoxy-1H-pyrazolo[4,3-c]pyridin-3-amine
SMILESNc1n[nH]c2ccnc(OCc3ccccc3)c12
InChIInChI=1S/C13H12N4O/c14-12-11-10(16-17-12)6-7-15-13(11)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H3,14,16,17)
InChIKeyXAOCPULRMFPHEN-UHFFFAOYSA-N
XLogP2.12
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-1H-pyrazolo[4,3-c]pyridin-3-amine?
The IUPAC name of 4-phenylmethoxy-1H-pyrazolo[4,3-c]pyridin-3-amine (CID 90462189) is 4-phenylmethoxy-1H-pyrazolo[4,3-c]pyridin-3-amine.
What is the SMILES notation for 4-phenylmethoxy-1H-pyrazolo[4,3-c]pyridin-3-amine?
The canonical SMILES for 4-phenylmethoxy-1H-pyrazolo[4,3-c]pyridin-3-amine is Nc1n[nH]c2ccnc(OCc3ccccc3)c12.
What is the InChIKey of 4-phenylmethoxy-1H-pyrazolo[4,3-c]pyridin-3-amine?
The InChIKey is XAOCPULRMFPHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c14-12-11-10(16-17-12)6-7-15-13(11)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H3,14,16,17).
What are the key properties of 4-phenylmethoxy-1H-pyrazolo[4,3-c]pyridin-3-amine?
4-phenylmethoxy-1H-pyrazolo[4,3-c]pyridin-3-amine has a molecular weight of 240.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-1H-pyrazolo[4,3-c]pyridin-3-amine is sourced from PubChem (CID 90462189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).