N-(5-bromo-4-chloro-1H-indol-3-yl)pyrazine-2-carboxamide

C13H8BrClN4O — CID 172641517

IUPACN-(5-bromo-4-chloro-1H-indol-3-yl)pyrazine-2-carboxamide
SMILESO=C(Nc1c[nH]c2ccc(Br)c(Cl)c12)c1cnccn1
InChIInChI=1S/C13H8BrClN4O/c14-7-1-2-8-11(12(7)15)9(6-18-8)19-13(20)10-5-16-3-4-17-10/h1-6,18H,(H,19,20)
InChIKeyQGOWLBYRMUOVNC-UHFFFAOYSA-N
MW351.59 g/mol
LogP3.63
Rot. Bonds2

About N-(5-bromo-4-chloro-1H-indol-3-yl)pyrazine-2-carboxamide

N-(5-bromo-4-chloro-1H-indol-3-yl)pyrazine-2-carboxamide (PubChem CID 172641517) has the molecular formula C13H8BrClN4O and a molecular weight of 351.59 g/mol. Its IUPAC name is N-(5-bromo-4-chloro-1H-indol-3-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-chloro-1H-indol-3-yl)pyrazine-2-carboxamide
PubChem CID172641517
Molecular FormulaC13H8BrClN4O
Molecular Weight351.59 g/mol
Exact Mass349.96
IUPAC NameN-(5-bromo-4-chloro-1H-indol-3-yl)pyrazine-2-carboxamide
SMILESO=C(Nc1c[nH]c2ccc(Br)c(Cl)c12)c1cnccn1
InChIInChI=1S/C13H8BrClN4O/c14-7-1-2-8-11(12(7)15)9(6-18-8)19-13(20)10-5-16-3-4-17-10/h1-6,18H,(H,19,20)
InChIKeyQGOWLBYRMUOVNC-UHFFFAOYSA-N
XLogP3.63
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.59
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-chloro-1H-indol-3-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(5-bromo-4-chloro-1H-indol-3-yl)pyrazine-2-carboxamide (CID 172641517) is N-(5-bromo-4-chloro-1H-indol-3-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(5-bromo-4-chloro-1H-indol-3-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(5-bromo-4-chloro-1H-indol-3-yl)pyrazine-2-carboxamide is O=C(Nc1c[nH]c2ccc(Br)c(Cl)c12)c1cnccn1.
What is the InChIKey of N-(5-bromo-4-chloro-1H-indol-3-yl)pyrazine-2-carboxamide?
The InChIKey is QGOWLBYRMUOVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN4O/c14-7-1-2-8-11(12(7)15)9(6-18-8)19-13(20)10-5-16-3-4-17-10/h1-6,18H,(H,19,20).
What are the key properties of N-(5-bromo-4-chloro-1H-indol-3-yl)pyrazine-2-carboxamide?
N-(5-bromo-4-chloro-1H-indol-3-yl)pyrazine-2-carboxamide has a molecular weight of 351.59 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-chloro-1H-indol-3-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 172641517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).