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

C14H18N6 — CID 78921293

IUPACN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
SMILESCc1nn(C)c2ncc(CNCc3ccn(C)n3)cc12
InChIInChI=1S/C14H18N6/c1-10-13-6-11(8-16-14(13)20(3)17-10)7-15-9-12-4-5-19(2)18-12/h4-6,8,15H,7,9H2,1-3H3
InChIKeyYOHWIBRYKYYOJU-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.30
Rot. Bonds4

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

N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine (PubChem CID 78921293) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
PubChem CID78921293
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
SMILESCc1nn(C)c2ncc(CNCc3ccn(C)n3)cc12
InChIInChI=1S/C14H18N6/c1-10-13-6-11(8-16-14(13)20(3)17-10)7-15-9-12-4-5-19(2)18-12/h4-6,8,15H,7,9H2,1-3H3
InChIKeyYOHWIBRYKYYOJU-UHFFFAOYSA-N
XLogP1.30
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]phenol
CID 115603275
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[2-(methoxymethyl)phenyl]methanamine
CID 53499067
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine
CID 166200105
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 60975578
1-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]cyclobutan-1-ol
CID 115621477
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115664524
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,2-diethoxyethanamine
CID 112731395
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-methylcyclobutan-1-amine
CID 115765733
4-chloro-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]aniline
CID 62404398
1-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 60976627
2-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine
CID 60975729
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62779687

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine?
The IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine (CID 78921293) is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine is Cc1nn(C)c2ncc(CNCc3ccn(C)n3)cc12.
What is the InChIKey of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine?
The InChIKey is YOHWIBRYKYYOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-10-13-6-11(8-16-14(13)20(3)17-10)7-15-9-12-4-5-19(2)18-12/h4-6,8,15H,7,9H2,1-3H3.
What are the key properties of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine?
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine has a molecular weight of 270.34 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 78921293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).