N-[4-bromo-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-N-formyl-2-methylbenzamide

C19H14BrN5O2 — CID 126663627

IUPACN-[4-bromo-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-N-formyl-2-methylbenzamide
SMILESCc1ccccc1C(=O)N(C=O)c1nn(-c2ccnc3[nH]ccc23)cc1Br
InChIInChI=1S/C19H14BrN5O2/c1-12-4-2-3-5-13(12)19(27)24(11-26)18-15(20)10-25(23-18)16-7-9-22-17-14(16)6-8-21-17/h2-11H,1H3,(H,21,22)
InChIKeyHZWKMHRGJGNPEQ-UHFFFAOYSA-N
MW424.26 g/mol
LogP3.62
Rot. Bonds4

About N-[4-bromo-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-N-formyl-2-methylbenzamide

N-[4-bromo-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-N-formyl-2-methylbenzamide (PubChem CID 126663627) has the molecular formula C19H14BrN5O2 and a molecular weight of 424.26 g/mol. Its IUPAC name is N-[4-bromo-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-N-formyl-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-bromo-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-N-formyl-2-methylbenzamide
PubChem CID126663627
Molecular FormulaC19H14BrN5O2
Molecular Weight424.26 g/mol
Exact Mass423.03
IUPAC NameN-[4-bromo-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-N-formyl-2-methylbenzamide
SMILESCc1ccccc1C(=O)N(C=O)c1nn(-c2ccnc3[nH]ccc23)cc1Br
InChIInChI=1S/C19H14BrN5O2/c1-12-4-2-3-5-13(12)19(27)24(11-26)18-15(20)10-25(23-18)16-7-9-22-17-14(16)6-8-21-17/h2-11H,1H3,(H,21,22)
InChIKeyHZWKMHRGJGNPEQ-UHFFFAOYSA-N
XLogP3.62
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.26
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-bromo-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-N-formyl-2-methylbenzamide 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

4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[2-(1-phenylpyrazol-3-yl)ethyl]benzamide
CID 118724198
N-[3-(methylcarbamoyl)phenyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 9120241
4-methyl-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N-(1H-pyrazol-5-yl)benzamide
CID 23400179
4-[1-Ethyl-3-(4-{[(phenylamino)carbonyl]amino}phenyl)-1Hpyrazol-4-yl]-N-[2-(4-methyl-1-piperazinyl)ethyl]-1H-pyrrolo-[2,3-b]pyridine-2-carboxamide
CID 46236769
1-(1-Methylethyl)-N-[(6-methyl-2-oxo-4-propyl-1,2-dihydro-3-pyridinyl)methyl]-6-(4-pyridinyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 56597562
5-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2H-isoquinolin-1-one
CID 57398540
4-[(1-carbamoylpiperidin-4-yl)amino]-1-ethyl-N-[(1R)-1-(2-ethylphenyl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 69246980
US11098041, Example 107
CID 121249883
4-[4-amino-1-[(2R)-1-but-2-ynoylpyrrolidin-2-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-pyridin-2-ylbenzamide
CID 168279948
2-amino-5-(3-(1-ethyl-1H-pyrazol-5-yl)-1H-pyrrolo(2,3-b)pyridin-5-yl)-N,N-dimethylbenzamide
CID 135566433
4-bromo-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 165415000
6-bromo-N-[1-(2-methylbenzyl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1259129

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-N-formyl-2-methylbenzamide?
The IUPAC name of N-[4-bromo-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-N-formyl-2-methylbenzamide (CID 126663627) is N-[4-bromo-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-N-formyl-2-methylbenzamide.
What is the SMILES notation for N-[4-bromo-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-N-formyl-2-methylbenzamide?
The canonical SMILES for N-[4-bromo-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-N-formyl-2-methylbenzamide is Cc1ccccc1C(=O)N(C=O)c1nn(-c2ccnc3[nH]ccc23)cc1Br.
What is the InChIKey of N-[4-bromo-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-N-formyl-2-methylbenzamide?
The InChIKey is HZWKMHRGJGNPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN5O2/c1-12-4-2-3-5-13(12)19(27)24(11-26)18-15(20)10-25(23-18)16-7-9-22-17-14(16)6-8-21-17/h2-11H,1H3,(H,21,22).
What are the key properties of N-[4-bromo-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-N-formyl-2-methylbenzamide?
N-[4-bromo-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-N-formyl-2-methylbenzamide has a molecular weight of 424.26 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-N-formyl-2-methylbenzamide is sourced from PubChem (CID 126663627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).