N-(4-bromophenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide

C20H23BrN6O — CID 50831448

IUPACN-(4-bromophenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
SMILESCc1nc2cccnc2n1CCN1CCN(C(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C20H23BrN6O/c1-15-23-18-3-2-8-22-19(18)27(15)14-11-25-9-12-26(13-10-25)20(28)24-17-6-4-16(21)5-7-17/h2-8H,9-14H2,1H3,(H,24,28)
InChIKeyCQOLFUJPGITICM-UHFFFAOYSA-N
MW443.35 g/mol
LogP3.35
Rot. Bonds4

About N-(4-bromophenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide

N-(4-bromophenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide (PubChem CID 50831448) has the molecular formula C20H23BrN6O and a molecular weight of 443.35 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
PubChem CID50831448
Molecular FormulaC20H23BrN6O
Molecular Weight443.35 g/mol
Exact Mass442.11
IUPAC NameN-(4-bromophenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
SMILESCc1nc2cccnc2n1CCN1CCN(C(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C20H23BrN6O/c1-15-23-18-3-2-8-22-19(18)27(15)14-11-25-9-12-26(13-10-25)20(28)24-17-6-4-16(21)5-7-17/h2-8H,9-14H2,1H3,(H,24,28)
InChIKeyCQOLFUJPGITICM-UHFFFAOYSA-N
XLogP3.35
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 50831420
N-(4-bromo-3-methylphenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 50831496
N-phenyl-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 46389499
N-(furan-2-ylmethyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 46389445
4-[2-(2-ethylimidazo[4,5-b]pyridin-3-yl)ethyl]-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 46389560
N-(2-chlorophenyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide
CID 46389455
4-[2-(2-ethylimidazo[4,5-b]pyridin-3-yl)ethyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 46389546
N-(2-methoxyphenyl)-4-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide
CID 46389453
N-(4-bromophenyl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide
CID 44522159
4-(2-aminoethyl)-N-(4-bromophenyl)piperazine-1-carboxamide
CID 108869241
4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 53022709
N-(2-ethoxyphenyl)-4-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 46389515

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-bromophenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide (CID 50831448) is N-(4-bromophenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide is Cc1nc2cccnc2n1CCN1CCN(C(=O)Nc2ccc(Br)cc2)CC1.
What is the InChIKey of N-(4-bromophenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is CQOLFUJPGITICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN6O/c1-15-23-18-3-2-8-22-19(18)27(15)14-11-25-9-12-26(13-10-25)20(28)24-17-6-4-16(21)5-7-17/h2-8H,9-14H2,1H3,(H,24,28).
What are the key properties of N-(4-bromophenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide?
N-(4-bromophenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 443.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-[2-(2-methylimidazo[4,5-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 50831448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).