N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C27H29N5O3 — CID 55801954

IUPACN-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3CC)c1
InChIInChI=1S/C27H29N5O3/c1-3-32-25-23(18-29-32)22(17-24(31-25)19-10-6-5-7-11-19)27(34)30-21-13-8-12-20(16-21)26(33)28-14-9-15-35-4-2/h5-8,10-13,16-18H,3-4,9,14-15H2,1-2H3,(H,28,33)(H,30,34)
InChIKeyIUOMUTBBDCQJKV-UHFFFAOYSA-N
MW471.56 g/mol
LogP4.53
Rot. Bonds10

About N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55801954) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55801954
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC NameN-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3CC)c1
InChIInChI=1S/C27H29N5O3/c1-3-32-25-23(18-29-32)22(17-24(31-25)19-10-6-5-7-11-19)27(34)30-21-13-8-12-20(16-21)26(33)28-14-9-15-35-4-2/h5-8,10-13,16-18H,3-4,9,14-15H2,1-2H3,(H,28,33)(H,30,34)
InChIKeyIUOMUTBBDCQJKV-UHFFFAOYSA-N
XLogP4.53
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119405435
methyl 6-[(1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoate
CID 30125131
N-(1-benzylpyrazol-4-yl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55982114
2-(pyridine-4-carbonylamino)ethyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 47585209
1-ethyl-6-phenyl-N-[3-(1,3-thiazol-2-yl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55817372
N-(4-cyanophenyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16590998
1-ethyl-N-[3-(5-methyltetrazol-1-yl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55677068
1-ethyl-6-phenyl-N-(2,4,6-trimethylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 25400422
1-ethyl-N-(1-ethyl-6-oxo-3-pyridinyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 60556984
N-(2,4-dimethylphenyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44823079
N-[3-(diethylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26079973
2-benzyl-N-[3-(3-ethoxypropylcarbamoyl)phenyl]benzamide
CID 55801849

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55801954) is N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is CCOCCCNC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3CC)c1.
What is the InChIKey of N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is IUOMUTBBDCQJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-3-32-25-23(18-29-32)22(17-24(31-25)19-10-6-5-7-11-19)27(34)30-21-13-8-12-20(16-21)26(33)28-14-9-15-35-4-2/h5-8,10-13,16-18H,3-4,9,14-15H2,1-2H3,(H,28,33)(H,30,34).
What are the key properties of N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 471.56 g/mol, XLogP of 4.53, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55801954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).