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

C14H20N4 — CID 115765733

IUPACN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-methylcyclobutan-1-amine
SMILESCc1nn(C)c2ncc(CNC3(C)CCC3)cc12
InChIInChI=1S/C14H20N4/c1-10-12-7-11(8-15-13(12)18(3)17-10)9-16-14(2)5-4-6-14/h7-8,16H,4-6,9H2,1-3H3
InChIKeyDCYVBBOHFLEXOQ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.31
Rot. Bonds3

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

N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-methylcyclobutan-1-amine (PubChem CID 115765733) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-methylcyclobutan-1-amine
PubChem CID115765733
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-methylcyclobutan-1-amine
SMILESCc1nn(C)c2ncc(CNC3(C)CCC3)cc12
InChIInChI=1S/C14H20N4/c1-10-12-7-11(8-15-13(12)18(3)17-10)9-16-14(2)5-4-6-14/h7-8,16H,4-6,9H2,1-3H3
InChIKeyDCYVBBOHFLEXOQ-UHFFFAOYSA-N
XLogP2.31
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]cyclobutan-1-ol
CID 115621477
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 103991547
[1-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]cyclopentyl]methanol
CID 115358637
2-cyclopentyl-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]ethanamine
CID 60975729
cis-(1R,2S)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methylcyclopropan-1-amine
CID 124542772
4-[[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]methyl]phenol
CID 115603275
2-bromo-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]prop-2-en-1-amine
CID 115614760
cis-(1S,2R)-N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methylcyclopropan-1-amine
CID 124542776
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 63032802
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83009426
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 60975578
trans-(1S,2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]cyclohexan-1-ol
CID 124550232

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-methylcyclobutan-1-amine?
The IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-methylcyclobutan-1-amine (CID 115765733) is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-methylcyclobutan-1-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-methylcyclobutan-1-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-methylcyclobutan-1-amine is Cc1nn(C)c2ncc(CNC3(C)CCC3)cc12.
What is the InChIKey of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-methylcyclobutan-1-amine?
The InChIKey is DCYVBBOHFLEXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10-12-7-11(8-15-13(12)18(3)17-10)9-16-14(2)5-4-6-14/h7-8,16H,4-6,9H2,1-3H3.
What are the key properties of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-methylcyclobutan-1-amine?
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-methylcyclobutan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-methylcyclobutan-1-amine is sourced from PubChem (CID 115765733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).