5-bromo-N-(1H-indazol-3-yl)pyrazine-2-carboxamide

C12H8BrN5O — CID 112527831

IUPAC5-bromo-N-(1H-indazol-3-yl)pyrazine-2-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)c1cnc(Br)cn1
InChIInChI=1S/C12H8BrN5O/c13-10-6-14-9(5-15-10)12(19)16-11-7-3-1-2-4-8(7)17-18-11/h1-6H,(H2,16,17,18,19)
InChIKeyKOWMXHBECZAPBM-UHFFFAOYSA-N
MW318.13 g/mol
LogP2.37
Rot. Bonds2

About 5-bromo-N-(1H-indazol-3-yl)pyrazine-2-carboxamide

5-bromo-N-(1H-indazol-3-yl)pyrazine-2-carboxamide (PubChem CID 112527831) has the molecular formula C12H8BrN5O and a molecular weight of 318.13 g/mol. Its IUPAC name is 5-bromo-N-(1H-indazol-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1H-indazol-3-yl)pyrazine-2-carboxamide
PubChem CID112527831
Molecular FormulaC12H8BrN5O
Molecular Weight318.13 g/mol
Exact Mass316.99
IUPAC Name5-bromo-N-(1H-indazol-3-yl)pyrazine-2-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)c1cnc(Br)cn1
InChIInChI=1S/C12H8BrN5O/c13-10-6-14-9(5-15-10)12(19)16-11-7-3-1-2-4-8(7)17-18-11/h1-6H,(H2,16,17,18,19)
InChIKeyKOWMXHBECZAPBM-UHFFFAOYSA-N
XLogP2.37
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.13
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-indazol-3-yl)pyrazine-2-carboxamide
CID 60729729
5-bromo-N-(2-methyl-1H-indol-3-yl)pyrazine-2-carboxamide
CID 112527061
4-chloro-N-(1H-indazol-3-yl)benzamide
CID 12913046
5-chloro-N-(1H-indazol-3-yl)thiophene-2-carboxamide
CID 60735598
2,5-dichloro-N-(1H-indazol-3-yl)benzamide
CID 60729962
4-bromo-N-(1H-indazol-3-yl)-2-methylbenzamide
CID 61068511
5-bromo-N-(2-chlorophenyl)pyrazine-2-carboxamide
CID 112520412
1-(4-bromophenyl)-3-(1H-indazol-3-yl)urea
CID 25197647
4-bromo-N-(1H-indazol-3-yl)-1-methylpyrrole-2-carboxamide
CID 62686203
N-(1H-indazol-3-yl)prop-2-enamide
CID 62686025
N-(1H-indazol-3-yl)-3-methylfuran-2-carboxamide
CID 60730334
N-(1H-indazol-3-yl)-2-methylsulfanylpyridine-3-carboxamide
CID 60729732

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1H-indazol-3-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-bromo-N-(1H-indazol-3-yl)pyrazine-2-carboxamide (CID 112527831) is 5-bromo-N-(1H-indazol-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1H-indazol-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1H-indazol-3-yl)pyrazine-2-carboxamide is O=C(Nc1n[nH]c2ccccc12)c1cnc(Br)cn1.
What is the InChIKey of 5-bromo-N-(1H-indazol-3-yl)pyrazine-2-carboxamide?
The InChIKey is KOWMXHBECZAPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN5O/c13-10-6-14-9(5-15-10)12(19)16-11-7-3-1-2-4-8(7)17-18-11/h1-6H,(H2,16,17,18,19).
What are the key properties of 5-bromo-N-(1H-indazol-3-yl)pyrazine-2-carboxamide?
5-bromo-N-(1H-indazol-3-yl)pyrazine-2-carboxamide has a molecular weight of 318.13 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1H-indazol-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 112527831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).