6-bromo-2-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine;6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine

C43H42Br2ClF3N10O2 — CID 87735896

IUPAC6-bromo-2-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine;6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine
SMILESBrc1cnc2nc(-c3ccc(OCCN4CCCCC4)cc3)[nH]c2c1.FC(F)(F)c1cnc(N2CCN(CCOc3ccc(-c4nc5ncc(Br)cc5[nH]4)cc3)CC2)c(Cl)c1
InChIInChI=1S/C24H21BrClF3N6O.C19H21BrN4O/c25-17-12-20-22(30-14-17)33-21(32-20)15-1-3-18(4-2-15)36-10-9-34-5-7-35(8-6-34)23-19(26)11-16(13-31-23)24(27,28)29;20-15-12-17-19(21-13-15)23-18(22-17)14-4-6-16(7-5-14)25-11-10-24-8-2-1-3-9-24/h1-4,11-14H,5-10H2,(H,30,32,33);4-7,12-13H,1-3,8-11H2,(H,21,22,23)
InChIKeyPKSKMJIXNXDYAM-UHFFFAOYSA-N
MW983.13 g/mol
LogP9.91
Rot. Bonds11

About 6-bromo-2-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine;6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine

6-bromo-2-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine;6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 87735896) has the molecular formula C43H42Br2ClF3N10O2 and a molecular weight of 983.13 g/mol. Its IUPAC name is 6-bromo-2-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine;6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine;6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine
PubChem CID87735896
Molecular FormulaC43H42Br2ClF3N10O2
Molecular Weight983.13 g/mol
Exact Mass980.15
IUPAC Name6-bromo-2-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine;6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine
SMILESBrc1cnc2nc(-c3ccc(OCCN4CCCCC4)cc3)[nH]c2c1.FC(F)(F)c1cnc(N2CCN(CCOc3ccc(-c4nc5ncc(Br)cc5[nH]4)cc3)CC2)c(Cl)c1
InChIInChI=1S/C24H21BrClF3N6O.C19H21BrN4O/c25-17-12-20-22(30-14-17)33-21(32-20)15-1-3-18(4-2-15)36-10-9-34-5-7-35(8-6-34)23-19(26)11-16(13-31-23)24(27,28)29;20-15-12-17-19(21-13-15)23-18(22-17)14-4-6-16(7-5-14)25-11-10-24-8-2-1-3-9-24/h1-4,11-14H,5-10H2,(H,30,32,33);4-7,12-13H,1-3,8-11H2,(H,21,22,23)
InChIKeyPKSKMJIXNXDYAM-UHFFFAOYSA-N
XLogP9.91
TPSA124.21 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500983.13
LogP ≤ 59.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-bromo-2-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine;6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine;6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine;6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine (CID 87735896) is 6-bromo-2-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine;6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine;6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine;6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine is Brc1cnc2nc(-c3ccc(OCCN4CCCCC4)cc3)[nH]c2c1.FC(F)(F)c1cnc(N2CCN(CCOc3ccc(-c4nc5ncc(Br)cc5[nH]4)cc3)CC2)c(Cl)c1.
What is the InChIKey of 6-bromo-2-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine;6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is PKSKMJIXNXDYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrClF3N6O.C19H21BrN4O/c25-17-12-20-22(30-14-17)33-21(32-20)15-1-3-18(4-2-15)36-10-9-34-5-7-35(8-6-34)23-19(26)11-16(13-31-23)24(27,28)29;20-15-12-17-19(21-13-15)23-18(22-17)14-4-6-16(7-5-14)25-11-10-24-8-2-1-3-9-24/h1-4,11-14H,5-10H2,(H,30,32,33);4-7,12-13H,1-3,8-11H2,(H,21,22,23).
What are the key properties of 6-bromo-2-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine;6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine?
6-bromo-2-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine;6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 983.13 g/mol, XLogP of 9.91, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[4-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine;6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 87735896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).