N-[(1-methylbenzimidazol-5-yl)methyl]-1H-pyrazolo[3,4-b]pyridin-5-amine

C15H14N6 — CID 167799786

IUPACN-[(1-methylbenzimidazol-5-yl)methyl]-1H-pyrazolo[3,4-b]pyridin-5-amine
SMILESCn1cnc2cc(CNc3cnc4[nH]ncc4c3)ccc21
InChIInChI=1S/C15H14N6/c1-21-9-18-13-4-10(2-3-14(13)21)6-16-12-5-11-7-19-20-15(11)17-8-12/h2-5,7-9,16H,6H2,1H3,(H,17,19,20)
InChIKeyJZFIINVIUQSOFK-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.46
Rot. Bonds3

About N-[(1-methylbenzimidazol-5-yl)methyl]-1H-pyrazolo[3,4-b]pyridin-5-amine

N-[(1-methylbenzimidazol-5-yl)methyl]-1H-pyrazolo[3,4-b]pyridin-5-amine (PubChem CID 167799786) has the molecular formula C15H14N6 and a molecular weight of 278.32 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-5-yl)methyl]-1H-pyrazolo[3,4-b]pyridin-5-amine.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-5-yl)methyl]-1H-pyrazolo[3,4-b]pyridin-5-amine
PubChem CID167799786
Molecular FormulaC15H14N6
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC NameN-[(1-methylbenzimidazol-5-yl)methyl]-1H-pyrazolo[3,4-b]pyridin-5-amine
SMILESCn1cnc2cc(CNc3cnc4[nH]ncc4c3)ccc21
InChIInChI=1S/C15H14N6/c1-21-9-18-13-4-10(2-3-14(13)21)6-16-12-5-11-7-19-20-15(11)17-8-12/h2-5,7-9,16H,6H2,1H3,(H,17,19,20)
InChIKeyJZFIINVIUQSOFK-UHFFFAOYSA-N
XLogP2.46
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-aminophenyl)methyl]-1-methylbenzimidazol-5-amine
CID 115212382
2-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine
CID 115124487
4-methyl-1-N-[(1-methylbenzimidazol-5-yl)methyl]benzene-1,2-diamine
CID 115125068
(1-methylbenzimidazol-5-yl)methanethiol
CID 83529810
methane;(1-methylbenzimidazol-5-yl)methanamine
CID 159204423
N-[(1-methylbenzimidazol-5-yl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110785872
2,2-dimethyl-3-[(1-methylbenzimidazol-5-yl)methylamino]propanenitrile
CID 115234056
4-[(1-methylbenzimidazol-5-yl)methylamino]butan-1-ol
CID 115217622
N-[(1-methylbenzimidazol-5-yl)methyl]-2-sulfanylacetamide
CID 115167209
N-[(1-methylbenzimidazol-5-yl)methyl]azetidine-3-carboxamide
CID 115158890
5-(2-chloroethyl)-1-methylbenzimidazole
CID 82255547
2-(1-methylbenzimidazol-5-yl)ethanamine
CID 82255151

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-5-yl)methyl]-1H-pyrazolo[3,4-b]pyridin-5-amine?
The IUPAC name of N-[(1-methylbenzimidazol-5-yl)methyl]-1H-pyrazolo[3,4-b]pyridin-5-amine (CID 167799786) is N-[(1-methylbenzimidazol-5-yl)methyl]-1H-pyrazolo[3,4-b]pyridin-5-amine.
What is the SMILES notation for N-[(1-methylbenzimidazol-5-yl)methyl]-1H-pyrazolo[3,4-b]pyridin-5-amine?
The canonical SMILES for N-[(1-methylbenzimidazol-5-yl)methyl]-1H-pyrazolo[3,4-b]pyridin-5-amine is Cn1cnc2cc(CNc3cnc4[nH]ncc4c3)ccc21.
What is the InChIKey of N-[(1-methylbenzimidazol-5-yl)methyl]-1H-pyrazolo[3,4-b]pyridin-5-amine?
The InChIKey is JZFIINVIUQSOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6/c1-21-9-18-13-4-10(2-3-14(13)21)6-16-12-5-11-7-19-20-15(11)17-8-12/h2-5,7-9,16H,6H2,1H3,(H,17,19,20).
What are the key properties of N-[(1-methylbenzimidazol-5-yl)methyl]-1H-pyrazolo[3,4-b]pyridin-5-amine?
N-[(1-methylbenzimidazol-5-yl)methyl]-1H-pyrazolo[3,4-b]pyridin-5-amine has a molecular weight of 278.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-5-yl)methyl]-1H-pyrazolo[3,4-b]pyridin-5-amine is sourced from PubChem (CID 167799786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).