N-hexan-3-yl-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine

C14H22N4 — CID 104720212

IUPACN-hexan-3-yl-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
SMILESCCCC(CC)Nc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C14H22N4/c1-5-7-11(6-2)16-12-8-13-10(3)17-18(4)14(13)15-9-12/h8-9,11,16H,5-7H2,1-4H3
InChIKeyMUMRXLFSLFZYFG-UHFFFAOYSA-N
MW246.36 g/mol
LogP3.27
Rot. Bonds5

About N-hexan-3-yl-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine

N-hexan-3-yl-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine (PubChem CID 104720212) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-hexan-3-yl-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine.

Molecular Properties

Compound NameN-hexan-3-yl-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
PubChem CID104720212
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-hexan-3-yl-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
SMILESCCCC(CC)Nc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C14H22N4/c1-5-7-11(6-2)16-12-8-13-10(3)17-18(4)14(13)15-9-12/h8-9,11,16H,5-7H2,1-4H3
InChIKeyMUMRXLFSLFZYFG-UHFFFAOYSA-N
XLogP3.27
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-N-(3-methylpentan-2-yl)pyrazolo[5,4-b]pyridin-5-amine
CID 43725537
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]hexan-3-amine
CID 62403177
1,3-dimethyl-N-(2-methylpentyl)pyrazolo[5,4-b]pyridin-5-amine
CID 43725533
2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide
CID 43710001
N-(1-hydroxybutan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 43417939
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111473744
2-(aminomethyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)butanamide
CID 65225358
1,3-dimethyl-N-pentan-2-ylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 42937289
N-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 103439052
N-[1-(5-chlorothiophen-3-yl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 102976958
1-bromo-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanesulfonamide
CID 83093269
2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-ethylbutanamide
CID 79809258

Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
The IUPAC name of N-hexan-3-yl-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine (CID 104720212) is N-hexan-3-yl-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine.
What is the SMILES notation for N-hexan-3-yl-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
The canonical SMILES for N-hexan-3-yl-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine is CCCC(CC)Nc1cnc2c(c1)c(C)nn2C.
What is the InChIKey of N-hexan-3-yl-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
The InChIKey is MUMRXLFSLFZYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-5-7-11(6-2)16-12-8-13-10(3)17-18(4)14(13)15-9-12/h8-9,11,16H,5-7H2,1-4H3.
What are the key properties of N-hexan-3-yl-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine?
N-hexan-3-yl-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine has a molecular weight of 246.36 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine is sourced from PubChem (CID 104720212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).