N-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]pyrazine-2-carboxamide;ethane

C19H16BrClN6O — CID 144717655

IUPACN-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]pyrazine-2-carboxamide;ethane
SMILESCC.O=C(Nc1ccc(Cl)c(-c2nc3ncc(Br)cc3[nH]2)c1)c1cnccn1
InChIInChI=1S/C17H10BrClN6O.C2H6/c18-9-5-13-16(22-7-9)25-15(24-13)11-6-10(1-2-12(11)19)23-17(26)14-8-20-3-4-21-14;1-2/h1-8H,(H,23,26)(H,22,24,25);1-2H3
InChIKeyPTDPKYYEDYYEID-UHFFFAOYSA-N
MW459.74 g/mol
LogP5.11
Rot. Bonds3

About N-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]pyrazine-2-carboxamide;ethane

N-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]pyrazine-2-carboxamide;ethane (PubChem CID 144717655) has the molecular formula C19H16BrClN6O and a molecular weight of 459.74 g/mol. Its IUPAC name is N-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]pyrazine-2-carboxamide;ethane.

Molecular Properties

Compound NameN-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]pyrazine-2-carboxamide;ethane
PubChem CID144717655
Molecular FormulaC19H16BrClN6O
Molecular Weight459.74 g/mol
Exact Mass458.03
IUPAC NameN-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]pyrazine-2-carboxamide;ethane
SMILESCC.O=C(Nc1ccc(Cl)c(-c2nc3ncc(Br)cc3[nH]2)c1)c1cnccn1
InChIInChI=1S/C17H10BrClN6O.C2H6/c18-9-5-13-16(22-7-9)25-15(24-13)11-6-10(1-2-12(11)19)23-17(26)14-8-20-3-4-21-14;1-2/h1-8H,(H,23,26)(H,22,24,25);1-2H3
InChIKeyPTDPKYYEDYYEID-UHFFFAOYSA-N
XLogP5.11
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.74
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]pyrazine-2-carboxamide;ethane?
The IUPAC name of N-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]pyrazine-2-carboxamide;ethane (CID 144717655) is N-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]pyrazine-2-carboxamide;ethane.
What is the SMILES notation for N-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]pyrazine-2-carboxamide;ethane?
The canonical SMILES for N-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]pyrazine-2-carboxamide;ethane is CC.O=C(Nc1ccc(Cl)c(-c2nc3ncc(Br)cc3[nH]2)c1)c1cnccn1.
What is the InChIKey of N-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]pyrazine-2-carboxamide;ethane?
The InChIKey is PTDPKYYEDYYEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrClN6O.C2H6/c18-9-5-13-16(22-7-9)25-15(24-13)11-6-10(1-2-12(11)19)23-17(26)14-8-20-3-4-21-14;1-2/h1-8H,(H,23,26)(H,22,24,25);1-2H3.
What are the key properties of N-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]pyrazine-2-carboxamide;ethane?
N-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]pyrazine-2-carboxamide;ethane has a molecular weight of 459.74 g/mol, XLogP of 5.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chlorophenyl]pyrazine-2-carboxamide;ethane is sourced from PubChem (CID 144717655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).