N-(3-acetamidopropyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C17H25N5O2 — CID 38452878

IUPACN-(3-acetamidopropyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(=O)NCCCNC(=O)c1cc(C(C)C)nc2c1c(C)nn2C
InChIInChI=1S/C17H25N5O2/c1-10(2)14-9-13(15-11(3)21-22(5)16(15)20-14)17(24)19-8-6-7-18-12(4)23/h9-10H,6-8H2,1-5H3,(H,18,23)(H,19,24)
InChIKeyNEVATHQDDGHJBK-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.66
Rot. Bonds6

About N-(3-acetamidopropyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(3-acetamidopropyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 38452878) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(3-acetamidopropyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidopropyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID38452878
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-(3-acetamidopropyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(=O)NCCCNC(=O)c1cc(C(C)C)nc2c1c(C)nn2C
InChIInChI=1S/C17H25N5O2/c1-10(2)14-9-13(15-11(3)21-22(5)16(15)20-14)17(24)19-8-6-7-18-12(4)23/h9-10H,6-8H2,1-5H3,(H,18,23)(H,19,24)
InChIKeyNEVATHQDDGHJBK-UHFFFAOYSA-N
XLogP1.66
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-N-[3-(N-methylanilino)propyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32613749
1,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 30375860
2-[(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]propanediamide
CID 56807591
N-(3-hydroxypropyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 110886199
N-(4-acetylphenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32758884
N-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 99732090
1,3-dimethyl-6-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 38557450
N-(2-tert-butylphenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32951263
6-[(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoic acid
CID 119352167
N-(2-hydroxyethyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 110883675
1,3-dimethyl-6-propan-2-yl-N-(1,3-thiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 51338496
1,3-dimethyl-6-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 30550990

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidopropyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-acetamidopropyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 38452878) is N-(3-acetamidopropyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-acetamidopropyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-acetamidopropyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC(=O)NCCCNC(=O)c1cc(C(C)C)nc2c1c(C)nn2C.
What is the InChIKey of N-(3-acetamidopropyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is NEVATHQDDGHJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-10(2)14-9-13(15-11(3)21-22(5)16(15)20-14)17(24)19-8-6-7-18-12(4)23/h9-10H,6-8H2,1-5H3,(H,18,23)(H,19,24).
What are the key properties of N-(3-acetamidopropyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(3-acetamidopropyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidopropyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 38452878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).