4-[6-bromo-7-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide

C21H26BrN7O — CID 70687385

IUPAC4-[6-bromo-7-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
SMILESCNc1c(Br)cnc2nc(-c3ccc(C(=O)NCCN4CCN(C)CC4)cc3)[nH]c12
InChIInChI=1S/C21H26BrN7O/c1-23-17-16(22)13-25-20-18(17)26-19(27-20)14-3-5-15(6-4-14)21(30)24-7-8-29-11-9-28(2)10-12-29/h3-6,13H,7-12H2,1-2H3,(H,24,30)(H2,23,25,26,27)
InChIKeyFUIFXIHDSHGQPX-UHFFFAOYSA-N
MW472.39 g/mol
LogP2.41
Rot. Bonds6

About 4-[6-bromo-7-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide

4-[6-bromo-7-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide (PubChem CID 70687385) has the molecular formula C21H26BrN7O and a molecular weight of 472.39 g/mol. Its IUPAC name is 4-[6-bromo-7-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[6-bromo-7-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
PubChem CID70687385
Molecular FormulaC21H26BrN7O
Molecular Weight472.39 g/mol
Exact Mass471.14
IUPAC Name4-[6-bromo-7-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
SMILESCNc1c(Br)cnc2nc(-c3ccc(C(=O)NCCN4CCN(C)CC4)cc3)[nH]c12
InChIInChI=1S/C21H26BrN7O/c1-23-17-16(22)13-25-20-18(17)26-19(27-20)14-3-5-15(6-4-14)21(30)24-7-8-29-11-9-28(2)10-12-29/h3-6,13H,7-12H2,1-2H3,(H,24,30)(H2,23,25,26,27)
InChIKeyFUIFXIHDSHGQPX-UHFFFAOYSA-N
XLogP2.41
TPSA89.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.39
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-bromo-7-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 4-[6-bromo-7-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide (CID 70687385) is 4-[6-bromo-7-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-[6-bromo-7-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 4-[6-bromo-7-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide is CNc1c(Br)cnc2nc(-c3ccc(C(=O)NCCN4CCN(C)CC4)cc3)[nH]c12.
What is the InChIKey of 4-[6-bromo-7-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is FUIFXIHDSHGQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrN7O/c1-23-17-16(22)13-25-20-18(17)26-19(27-20)14-3-5-15(6-4-14)21(30)24-7-8-29-11-9-28(2)10-12-29/h3-6,13H,7-12H2,1-2H3,(H,24,30)(H2,23,25,26,27).
What are the key properties of 4-[6-bromo-7-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide?
4-[6-bromo-7-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 472.39 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-bromo-7-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 70687385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).