N-(3-amino-2-methylpropyl)-1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide

C16H25N5O — CID 119997513

IUPACN-(3-amino-2-methylpropyl)-1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCC(C)n1ncc2c(C(=O)NCC(C)CN)cc(C)nc21
InChIInChI=1S/C16H25N5O/c1-5-12(4)21-15-14(9-19-21)13(6-11(3)20-15)16(22)18-8-10(2)7-17/h6,9-10,12H,5,7-8,17H2,1-4H3,(H,18,22)
InChIKeyJKINKSODXDJXPL-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.04
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide

N-(3-amino-2-methylpropyl)-1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 119997513) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID119997513
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC NameN-(3-amino-2-methylpropyl)-1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCC(C)n1ncc2c(C(=O)NCC(C)CN)cc(C)nc21
InChIInChI=1S/C16H25N5O/c1-5-12(4)21-15-14(9-19-21)13(6-11(3)20-15)16(22)18-8-10(2)7-17/h6,9-10,12H,5,7-8,17H2,1-4H3,(H,18,22)
InChIKeyJKINKSODXDJXPL-UHFFFAOYSA-N
XLogP2.04
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-butan-2-yl-6-methyl-N-[2-(methylamino)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120831658
1-[(2R)-butan-2-yl]-6-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 28842366
N-(2-aminophenyl)-1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119422061
1-butan-2-yl-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 119510814
(2R)-2-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 119363231
6-methyl-N-[2-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120828292
1-[(2R)-butan-2-yl]-6-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 95278092
1-[(2R)-butan-2-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 95273942
1-[(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 120530906
1-butan-2-yl-6-methyl-N-(piperidin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 119460822
1-[(2S)-butan-2-yl]-6-methyl-N,N-bis(prop-2-enyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 95152320
1-[(2R)-butan-2-yl]-6-methyl-N-[(1S)-1-pyridin-2-ylethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 95156417

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 119997513) is N-(3-amino-2-methylpropyl)-1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide is CCC(C)n1ncc2c(C(=O)NCC(C)CN)cc(C)nc21.
What is the InChIKey of N-(3-amino-2-methylpropyl)-1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is JKINKSODXDJXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-5-12(4)21-15-14(9-19-21)13(6-11(3)20-15)16(22)18-8-10(2)7-17/h6,9-10,12H,5,7-8,17H2,1-4H3,(H,18,22).
What are the key properties of N-(3-amino-2-methylpropyl)-1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-(3-amino-2-methylpropyl)-1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 119997513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).