N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-(1H-imidazol-5-yl)ethanamine;1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidine-3-carboxamide;6-bromo-2-[4-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine

C61H63Br3N18O4 — CID 87963498

IUPACN-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-(1H-imidazol-5-yl)ethanamine;1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidine-3-carboxamide;6-bromo-2-[4-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine
SMILESBrc1cnc2nc(-c3ccc(OCCN4CCN(c5cnccn5)CC4)cc3)[nH]c2c1.Brc1cnc2nc(-c3ccc(OCCNCCc4cnc[nH]4)cc3)[nH]c2c1.NC(=O)C1CCCN(CCOc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)C1
InChIInChI=1S/C22H22BrN7O.C20H22BrN5O2.C19H19BrN6O/c23-17-13-19-22(26-14-17)28-21(27-19)16-1-3-18(4-2-16)31-12-11-29-7-9-30(10-8-29)20-15-24-5-6-25-20;21-15-10-17-20(23-11-15)25-19(24-17)13-3-5-16(6-4-13)28-9-8-26-7-1-2-14(12-26)18(22)27;20-14-9-17-19(23-10-14)26-18(25-17)13-1-3-16(4-2-13)27-8-7-21-6-5-15-11-22-12-24-15/h1-6,13-15H,7-12H2,(H,26,27,28);3-6,10-11,14H,1-2,7-9,12H2,(H2,22,27)(H,23,24,25);1-4,9-12,21H,5-8H2,(H,22,24)(H,23,25,26)
InChIKeyYYOUHCMMRMMATR-UHFFFAOYSA-N
MW1352.01 g/mol
LogP9.66
Rot. Bonds20

About N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-(1H-imidazol-5-yl)ethanamine;1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidine-3-carboxamide;6-bromo-2-[4-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine

N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-(1H-imidazol-5-yl)ethanamine;1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidine-3-carboxamide;6-bromo-2-[4-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 87963498) has the molecular formula C61H63Br3N18O4 and a molecular weight of 1352.01 g/mol. Its IUPAC name is N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-(1H-imidazol-5-yl)ethanamine;1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidine-3-carboxamide;6-bromo-2-[4-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound NameN-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-(1H-imidazol-5-yl)ethanamine;1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidine-3-carboxamide;6-bromo-2-[4-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine
PubChem CID87963498
Molecular FormulaC61H63Br3N18O4
Molecular Weight1352.01 g/mol
Exact Mass1348.28
IUPAC NameN-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-(1H-imidazol-5-yl)ethanamine;1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidine-3-carboxamide;6-bromo-2-[4-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine
SMILESBrc1cnc2nc(-c3ccc(OCCN4CCN(c5cnccn5)CC4)cc3)[nH]c2c1.Brc1cnc2nc(-c3ccc(OCCNCCc4cnc[nH]4)cc3)[nH]c2c1.NC(=O)C1CCCN(CCOc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)C1
InChIInChI=1S/C22H22BrN7O.C20H22BrN5O2.C19H19BrN6O/c23-17-13-19-22(26-14-17)28-21(27-19)16-1-3-18(4-2-16)31-12-11-29-7-9-30(10-8-29)20-15-24-5-6-25-20;21-15-10-17-20(23-11-15)25-19(24-17)13-3-5-16(6-4-13)28-9-8-26-7-1-2-14(12-26)18(22)27;20-14-9-17-19(23-10-14)26-18(25-17)13-1-3-16(4-2-13)27-8-7-21-6-5-15-11-22-12-24-15/h1-6,13-15H,7-12H2,(H,26,27,28);3-6,10-11,14H,1-2,7-9,12H2,(H2,22,27)(H,23,24,25);1-4,9-12,21H,5-8H2,(H,22,24)(H,23,25,26)
InChIKeyYYOUHCMMRMMATR-UHFFFAOYSA-N
XLogP9.66
TPSA271.70 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms86
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001352.01
LogP ≤ 59.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-(1H-imidazol-5-yl)ethanamine;1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidine-3-carboxamide;6-bromo-2-[4-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-(1H-imidazol-5-yl)ethanamine;1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidine-3-carboxamide;6-bromo-2-[4-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-(1H-imidazol-5-yl)ethanamine;1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidine-3-carboxamide;6-bromo-2-[4-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine (CID 87963498) is N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-(1H-imidazol-5-yl)ethanamine;1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidine-3-carboxamide;6-bromo-2-[4-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-(1H-imidazol-5-yl)ethanamine;1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidine-3-carboxamide;6-bromo-2-[4-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-(1H-imidazol-5-yl)ethanamine;1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidine-3-carboxamide;6-bromo-2-[4-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine is Brc1cnc2nc(-c3ccc(OCCN4CCN(c5cnccn5)CC4)cc3)[nH]c2c1.Brc1cnc2nc(-c3ccc(OCCNCCc4cnc[nH]4)cc3)[nH]c2c1.NC(=O)C1CCCN(CCOc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)C1.
What is the InChIKey of N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-(1H-imidazol-5-yl)ethanamine;1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidine-3-carboxamide;6-bromo-2-[4-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is YYOUHCMMRMMATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrN7O.C20H22BrN5O2.C19H19BrN6O/c23-17-13-19-22(26-14-17)28-21(27-19)16-1-3-18(4-2-16)31-12-11-29-7-9-30(10-8-29)20-15-24-5-6-25-20;21-15-10-17-20(23-11-15)25-19(24-17)13-3-5-16(6-4-13)28-9-8-26-7-1-2-14(12-26)18(22)27;20-14-9-17-19(23-10-14)26-18(25-17)13-1-3-16(4-2-13)27-8-7-21-6-5-15-11-22-12-24-15/h1-6,13-15H,7-12H2,(H,26,27,28);3-6,10-11,14H,1-2,7-9,12H2,(H2,22,27)(H,23,24,25);1-4,9-12,21H,5-8H2,(H,22,24)(H,23,25,26).
What are the key properties of N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-(1H-imidazol-5-yl)ethanamine;1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidine-3-carboxamide;6-bromo-2-[4-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine?
N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-(1H-imidazol-5-yl)ethanamine;1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidine-3-carboxamide;6-bromo-2-[4-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 1352.01 g/mol, XLogP of 9.66, 20 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]-2-(1H-imidazol-5-yl)ethanamine;1-[2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]piperidine-3-carboxamide;6-bromo-2-[4-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 87963498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).