N-[3-(imidazol-1-ylmethyl)phenyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine

C17H16N6 — CID 46913521

IUPACN-[3-(imidazol-1-ylmethyl)phenyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine
SMILESCc1[nH]nc2ccnc(Nc3cccc(Cn4ccnc4)c3)c12
InChIInChI=1S/C17H16N6/c1-12-16-15(22-21-12)5-6-19-17(16)20-14-4-2-3-13(9-14)10-23-8-7-18-11-23/h2-9,11H,10H2,1H3,(H,19,20)(H,21,22)
InChIKeyNJNYPAMLJXQFKG-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.25
Rot. Bonds4

About N-[3-(imidazol-1-ylmethyl)phenyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine

N-[3-(imidazol-1-ylmethyl)phenyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine (PubChem CID 46913521) has the molecular formula C17H16N6 and a molecular weight of 304.36 g/mol. Its IUPAC name is N-[3-(imidazol-1-ylmethyl)phenyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[3-(imidazol-1-ylmethyl)phenyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine
PubChem CID46913521
Molecular FormulaC17H16N6
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC NameN-[3-(imidazol-1-ylmethyl)phenyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine
SMILESCc1[nH]nc2ccnc(Nc3cccc(Cn4ccnc4)c3)c12
InChIInChI=1S/C17H16N6/c1-12-16-15(22-21-12)5-6-19-17(16)20-14-4-2-3-13(9-14)10-23-8-7-18-11-23/h2-9,11H,10H2,1H3,(H,19,20)(H,21,22)
InChIKeyNJNYPAMLJXQFKG-UHFFFAOYSA-N
XLogP3.25
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(imidazol-1-ylmethyl)phenyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of N-[3-(imidazol-1-ylmethyl)phenyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine (CID 46913521) is N-[3-(imidazol-1-ylmethyl)phenyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine.
What is the SMILES notation for N-[3-(imidazol-1-ylmethyl)phenyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for N-[3-(imidazol-1-ylmethyl)phenyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine is Cc1[nH]nc2ccnc(Nc3cccc(Cn4ccnc4)c3)c12.
What is the InChIKey of N-[3-(imidazol-1-ylmethyl)phenyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is NJNYPAMLJXQFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6/c1-12-16-15(22-21-12)5-6-19-17(16)20-14-4-2-3-13(9-14)10-23-8-7-18-11-23/h2-9,11H,10H2,1H3,(H,19,20)(H,21,22).
What are the key properties of N-[3-(imidazol-1-ylmethyl)phenyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine?
N-[3-(imidazol-1-ylmethyl)phenyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 304.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(imidazol-1-ylmethyl)phenyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 46913521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).