N-[3-(N-ethylanilino)propyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C22H29N5O — CID 35805438

IUPACN-[3-(N-ethylanilino)propyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCN(CCCNC(=O)c1cc2cnn(C(C)C)c2nc1C)c1ccccc1
InChIInChI=1S/C22H29N5O/c1-5-26(19-10-7-6-8-11-19)13-9-12-23-22(28)20-14-18-15-24-27(16(2)3)21(18)25-17(20)4/h6-8,10-11,14-16H,5,9,12-13H2,1-4H3,(H,23,28)
InChIKeyJCVKNWVKPAFVCV-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.97
Rot. Bonds8

About N-[3-(N-ethylanilino)propyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N-[3-(N-ethylanilino)propyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 35805438) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID35805438
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC NameN-[3-(N-ethylanilino)propyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCN(CCCNC(=O)c1cc2cnn(C(C)C)c2nc1C)c1ccccc1
InChIInChI=1S/C22H29N5O/c1-5-26(19-10-7-6-8-11-19)13-9-12-23-22(28)20-14-18-15-24-27(16(2)3)21(18)25-17(20)4/h6-8,10-11,14-16H,5,9,12-13H2,1-4H3,(H,23,28)
InChIKeyJCVKNWVKPAFVCV-UHFFFAOYSA-N
XLogP3.97
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-N-[3-(methylamino)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119429541
6-methyl-N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55645313
N-[2-(2-aminoethylcarbamoyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 120604207
3-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]-2-phenylpropanoic acid
CID 120528856
4-[2-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]ethyl]benzoic acid
CID 120512999
6-methyl-N-[2-(naphthalen-1-ylmethylsulfanyl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 60568705
N-[2-(2-ethylanilino)-2-oxoethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 25497145
N-(2-ethylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41499506
6-methyl-1-propan-2-yl-N-(3-quinolin-8-yloxypropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 56585762
N-[2-(5-bromothiophen-2-yl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24617983
6-methyl-1-propan-2-yl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 41413354
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 38569041

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)propyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 35805438) is N-[3-(N-ethylanilino)propyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is CCN(CCCNC(=O)c1cc2cnn(C(C)C)c2nc1C)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is JCVKNWVKPAFVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-5-26(19-10-7-6-8-11-19)13-9-12-23-22(28)20-14-18-15-24-27(16(2)3)21(18)25-17(20)4/h6-8,10-11,14-16H,5,9,12-13H2,1-4H3,(H,23,28).
What are the key properties of N-[3-(N-ethylanilino)propyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-[3-(N-ethylanilino)propyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)propyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 35805438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).