4-bromo-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-7-carboxamide

C12H10BrN5O — CID 129265147

IUPAC4-bromo-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-7-carboxamide
SMILESCn1cc(-c2cc3c(Br)ncc(C(N)=O)c3[nH]2)cn1
InChIInChI=1S/C12H10BrN5O/c1-18-5-6(3-16-18)9-2-7-10(17-9)8(12(14)19)4-15-11(7)13/h2-5,17H,1H3,(H2,14,19)
InChIKeyJWUZEQOZQJBRFN-UHFFFAOYSA-N
MW320.15 g/mol
LogP1.82
Rot. Bonds2

About 4-bromo-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-7-carboxamide

4-bromo-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-7-carboxamide (PubChem CID 129265147) has the molecular formula C12H10BrN5O and a molecular weight of 320.15 g/mol. Its IUPAC name is 4-bromo-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name4-bromo-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-7-carboxamide
PubChem CID129265147
Molecular FormulaC12H10BrN5O
Molecular Weight320.15 g/mol
Exact Mass319.01
IUPAC Name4-bromo-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-7-carboxamide
SMILESCn1cc(-c2cc3c(Br)ncc(C(N)=O)c3[nH]2)cn1
InChIInChI=1S/C12H10BrN5O/c1-18-5-6(3-16-18)9-2-7-10(17-9)8(12(14)19)4-15-11(7)13/h2-5,17H,1H3,(H2,14,19)
InChIKeyJWUZEQOZQJBRFN-UHFFFAOYSA-N
XLogP1.82
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-bromo-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-7-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

4-bromo-2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]-1H-indole-7-carboxamide
CID 140662743
2-(2-fluoro-4-methylphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide
CID 165392036
3-bromo-5-(1-methylpyrazol-4-yl)benzamide
CID 146020234
N-[3-[7-carbamoyl-2-(1-methylpyrazol-4-yl)-1H-indol-4-yl]-2-ethylphenyl]-1,3-thiazole-2-carboxamide;N-[3-[7-carbamoyl-2-(1-methylpyrazol-4-yl)-1H-indol-4-yl]-2-(hydroxymethyl)phenyl]-1,3-thiazole-2-carboxamide
CID 160893111
N-[3-[7-carbamoyl-2-(1-methylpyrazol-4-yl)-1H-indol-4-yl]-2-methylphenyl]-N-(oxetan-3-yl)-1,3-thiazole-2-carboxamide
CID 86763130
7-(1-methylpyrazol-4-yl)-1-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-5H-pyrido[4,3-b]indole-4-carboxamide
CID 56595052
4-chloro-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 164572804
2-(1-methylpyrazol-4-yl)-5-nitro-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde
CID 162426653
6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 141364751
methyl 4-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 138570202
2-amino-5-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]thiophene-3-carboxamide
CID 59525995
cyclobutylmethyl 4-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 138570026

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 4-bromo-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-7-carboxamide (CID 129265147) is 4-bromo-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 4-bromo-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 4-bromo-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-7-carboxamide is Cn1cc(-c2cc3c(Br)ncc(C(N)=O)c3[nH]2)cn1.
What is the InChIKey of 4-bromo-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-7-carboxamide?
The InChIKey is JWUZEQOZQJBRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN5O/c1-18-5-6(3-16-18)9-2-7-10(17-9)8(12(14)19)4-15-11(7)13/h2-5,17H,1H3,(H2,14,19).
What are the key properties of 4-bromo-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-7-carboxamide?
4-bromo-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-7-carboxamide has a molecular weight of 320.15 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 129265147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).