N-methyl-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine

C16H18N4 — CID 63772920

IUPACN-methyl-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine
SMILESCNCc1cnc2c(c1)c(C)nn2-c1ccc(C)cc1
InChIInChI=1S/C16H18N4/c1-11-4-6-14(7-5-11)20-16-15(12(2)19-20)8-13(9-17-3)10-18-16/h4-8,10,17H,9H2,1-3H3
InChIKeyYZBOKULVWOILKO-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.76
Rot. Bonds3

About N-methyl-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine

N-methyl-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine (PubChem CID 63772920) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine
PubChem CID63772920
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN-methyl-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine
SMILESCNCc1cnc2c(c1)c(C)nn2-c1ccc(C)cc1
InChIInChI=1S/C16H18N4/c1-11-4-6-14(7-5-11)20-16-15(12(2)19-20)8-13(9-17-3)10-18-16/h4-8,10,17H,9H2,1-3H3
InChIKeyYZBOKULVWOILKO-UHFFFAOYSA-N
XLogP2.76
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine (CID 63772920) is N-methyl-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine is CNCc1cnc2c(c1)c(C)nn2-c1ccc(C)cc1.
What is the InChIKey of N-methyl-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine?
The InChIKey is YZBOKULVWOILKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-11-4-6-14(7-5-11)20-16-15(12(2)19-20)8-13(9-17-3)10-18-16/h4-8,10,17H,9H2,1-3H3.
What are the key properties of N-methyl-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine?
N-methyl-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine has a molecular weight of 266.35 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]methanamine is sourced from PubChem (CID 63772920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).