6-chloro-1-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazolo[4,3-c]pyridin-3-amine

C16H14ClN7O — CID 134438910

IUPAC6-chloro-1-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazolo[4,3-c]pyridin-3-amine
SMILESCOc1c(-c2ncn(C)n2)cccc1-n1nc(N)c2cnc(Cl)cc21
InChIInChI=1S/C16H14ClN7O/c1-23-8-20-16(22-23)9-4-3-5-11(14(9)25-2)24-12-6-13(17)19-7-10(12)15(18)21-24/h3-8H,1-2H3,(H2,18,21)
InChIKeyZDUOEQYVBVYVKG-UHFFFAOYSA-N
MW355.79 g/mol
LogP2.46
Rot. Bonds3

About 6-chloro-1-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazolo[4,3-c]pyridin-3-amine

6-chloro-1-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazolo[4,3-c]pyridin-3-amine (PubChem CID 134438910) has the molecular formula C16H14ClN7O and a molecular weight of 355.79 g/mol. Its IUPAC name is 6-chloro-1-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazolo[4,3-c]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-1-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazolo[4,3-c]pyridin-3-amine
PubChem CID134438910
Molecular FormulaC16H14ClN7O
Molecular Weight355.79 g/mol
Exact Mass355.09
IUPAC Name6-chloro-1-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazolo[4,3-c]pyridin-3-amine
SMILESCOc1c(-c2ncn(C)n2)cccc1-n1nc(N)c2cnc(Cl)cc21
InChIInChI=1S/C16H14ClN7O/c1-23-8-20-16(22-23)9-4-3-5-11(14(9)25-2)24-12-6-13(17)19-7-10(12)15(18)21-24/h3-8H,1-2H3,(H2,18,21)
InChIKeyZDUOEQYVBVYVKG-UHFFFAOYSA-N
XLogP2.46
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.79
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazolo[4,3-c]pyridin-3-amine?
The IUPAC name of 6-chloro-1-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazolo[4,3-c]pyridin-3-amine (CID 134438910) is 6-chloro-1-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazolo[4,3-c]pyridin-3-amine.
What is the SMILES notation for 6-chloro-1-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazolo[4,3-c]pyridin-3-amine?
The canonical SMILES for 6-chloro-1-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazolo[4,3-c]pyridin-3-amine is COc1c(-c2ncn(C)n2)cccc1-n1nc(N)c2cnc(Cl)cc21.
What is the InChIKey of 6-chloro-1-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazolo[4,3-c]pyridin-3-amine?
The InChIKey is ZDUOEQYVBVYVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN7O/c1-23-8-20-16(22-23)9-4-3-5-11(14(9)25-2)24-12-6-13(17)19-7-10(12)15(18)21-24/h3-8H,1-2H3,(H2,18,21).
What are the key properties of 6-chloro-1-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazolo[4,3-c]pyridin-3-amine?
6-chloro-1-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazolo[4,3-c]pyridin-3-amine has a molecular weight of 355.79 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyrazolo[4,3-c]pyridin-3-amine is sourced from PubChem (CID 134438910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).