1-benzyl-N-(4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide

C18H14BrN5O — CID 71678969

IUPAC1-benzyl-N-(4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1c[nH]c2nccc(Br)c12)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C18H14BrN5O/c19-14-6-7-20-17-16(14)15(9-21-17)23-18(25)13-8-22-24(11-13)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21)(H,23,25)
InChIKeyOETDPVHIOQFDBI-UHFFFAOYSA-N
MW396.25 g/mol
LogP3.82
Rot. Bonds4

About 1-benzyl-N-(4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide

1-benzyl-N-(4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide (PubChem CID 71678969) has the molecular formula C18H14BrN5O and a molecular weight of 396.25 g/mol. Its IUPAC name is 1-benzyl-N-(4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide
PubChem CID71678969
Molecular FormulaC18H14BrN5O
Molecular Weight396.25 g/mol
Exact Mass395.04
IUPAC Name1-benzyl-N-(4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1c[nH]c2nccc(Br)c12)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C18H14BrN5O/c19-14-6-7-20-17-16(14)15(9-21-17)23-18(25)13-8-22-24(11-13)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21)(H,23,25)
InChIKeyOETDPVHIOQFDBI-UHFFFAOYSA-N
XLogP3.82
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.25
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-N-(4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-N-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide
CID 71678285
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 71679468
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-1-benzylpyrazole-4-carboxamide
CID 71677957
1-benzyl-N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide
CID 71679960
1-benzyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 29370263
1-benzylpyrazole-4-carbohydrazide
CID 83386286
N-[2-(2-amino-2-oxoethyl)phenyl]-1-benzylpyrazole-4-carboxamide
CID 87045497
1-benzyl-N-[5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide
CID 71680467
1-benzyl-N-[5-[4-[2-(dimethylamino)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide
CID 156576917
1-benzyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 27554728
1-benzyl-N-(4-fluoro-2-methoxyphenyl)pyrazole-4-carboxamide
CID 32610344
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide (CID 71678969) is 1-benzyl-N-(4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide is O=C(Nc1c[nH]c2nccc(Br)c12)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-(4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide?
The InChIKey is OETDPVHIOQFDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN5O/c19-14-6-7-20-17-16(14)15(9-21-17)23-18(25)13-8-22-24(11-13)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21)(H,23,25).
What are the key properties of 1-benzyl-N-(4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide?
1-benzyl-N-(4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide has a molecular weight of 396.25 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 71678969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).