N-(1-aminohexan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride

C15H25Cl2N5O — CID 119666075

IUPACN-(1-aminohexan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride
SMILESCCCCC(CN)NC(=O)c1cnc2c(c1)c(C)nn2C.Cl.Cl
InChIInChI=1S/C15H23N5O.2ClH/c1-4-5-6-12(8-16)18-15(21)11-7-13-10(2)19-20(3)14(13)17-9-11;;/h7,9,12H,4-6,8,16H2,1-3H3,(H,18,21);2*1H
InChIKeyCXYOCEVSMBEHCZ-UHFFFAOYSA-N
MW362.31 g/mol
LogP2.37
Rot. Bonds6

About N-(1-aminohexan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride

N-(1-aminohexan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride (PubChem CID 119666075) has the molecular formula C15H25Cl2N5O and a molecular weight of 362.31 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride
PubChem CID119666075
Molecular FormulaC15H25Cl2N5O
Molecular Weight362.31 g/mol
Exact Mass361.14
IUPAC NameN-(1-aminohexan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride
SMILESCCCCC(CN)NC(=O)c1cnc2c(c1)c(C)nn2C.Cl.Cl
InChIInChI=1S/C15H23N5O.2ClH/c1-4-5-6-12(8-16)18-15(21)11-7-13-10(2)19-20(3)14(13)17-9-11;;/h7,9,12H,4-6,8,16H2,1-3H3,(H,18,21);2*1H
InChIKeyCXYOCEVSMBEHCZ-UHFFFAOYSA-N
XLogP2.37
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-N-pentan-2-ylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 42937289
N-(1-hydroxybutan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 43417939
(2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 107564561
N-(1-aminohexan-2-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 119668708
methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-methylpentanoate
CID 78839711
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 79246411
methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-hydroxypropanoate
CID 43409851
1,3-dimethyl-N-[3-(methylamino)propyl]pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119430925
2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-3-methylpentanoic acid
CID 120520882
(2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-4-methylpentanoic acid
CID 119360944
N-(1-aminohexan-2-yl)-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-6-carboxamide
CID 155965335
(E)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]hex-4-enoic acid
CID 120692869

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride (CID 119666075) is N-(1-aminohexan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride is CCCCC(CN)NC(=O)c1cnc2c(c1)c(C)nn2C.Cl.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride?
The InChIKey is CXYOCEVSMBEHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O.2ClH/c1-4-5-6-12(8-16)18-15(21)11-7-13-10(2)19-20(3)14(13)17-9-11;;/h7,9,12H,4-6,8,16H2,1-3H3,(H,18,21);2*1H.
What are the key properties of N-(1-aminohexan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride?
N-(1-aminohexan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride has a molecular weight of 362.31 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119666075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).