6-bromo-N-(1-ethylpiperidin-4-yl)-2-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine

C26H35BrFN7O — CID 134177275

IUPAC6-bromo-N-(1-ethylpiperidin-4-yl)-2-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCCN1CCC(Nc2c(Br)cnc3nc(-c4ccc(N5CCN(CCOC)CC5)cc4F)[nH]c23)CC1
InChIInChI=1S/C26H35BrFN7O/c1-3-33-8-6-18(7-9-33)30-23-21(27)17-29-26-24(23)31-25(32-26)20-5-4-19(16-22(20)28)35-12-10-34(11-13-35)14-15-36-2/h4-5,16-18H,3,6-15H2,1-2H3,(H2,29,30,31,32)
InChIKeyMFUDFLYHSWLSBG-UHFFFAOYSA-N
MW560.52 g/mol
LogP4.19
Rot. Bonds8

About 6-bromo-N-(1-ethylpiperidin-4-yl)-2-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine

6-bromo-N-(1-ethylpiperidin-4-yl)-2-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 134177275) has the molecular formula C26H35BrFN7O and a molecular weight of 560.52 g/mol. Its IUPAC name is 6-bromo-N-(1-ethylpiperidin-4-yl)-2-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name6-bromo-N-(1-ethylpiperidin-4-yl)-2-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
PubChem CID134177275
Molecular FormulaC26H35BrFN7O
Molecular Weight560.52 g/mol
Exact Mass559.21
IUPAC Name6-bromo-N-(1-ethylpiperidin-4-yl)-2-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCCN1CCC(Nc2c(Br)cnc3nc(-c4ccc(N5CCN(CCOC)CC5)cc4F)[nH]c23)CC1
InChIInChI=1S/C26H35BrFN7O/c1-3-33-8-6-18(7-9-33)30-23-21(27)17-29-26-24(23)31-25(32-26)20-5-4-19(16-22(20)28)35-12-10-34(11-13-35)14-15-36-2/h4-5,16-18H,3,6-15H2,1-2H3,(H2,29,30,31,32)
InChIKeyMFUDFLYHSWLSBG-UHFFFAOYSA-N
XLogP4.19
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.52
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-bromo-N-(1-ethylpiperidin-4-yl)-2-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine with MolForge

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Related Compounds

6-chloro-2-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine
CID 134177149
6-bromo-N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-[3-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 134177273
6-bromo-2-[4-[4-(2-ethoxyethyl)piperidin-1-yl]phenyl]-N-(1-ethylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine
CID 134177011
6-chloro-2-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-N-[(3S)-1-propylpyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 134177392
1-[4-[4-[6-bromo-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]piperazin-1-yl]-3-methoxypropan-1-one
CID 134177434
6-bromo-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine
CID 134176916
3-[4-[4-[6-bromo-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]piperazin-1-yl]propanenitrile
CID 134177020
3-[4-[4-[6-bromo-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]piperazin-1-yl]propanenitrile
CID 134177021
2-[4-[6-bromo-7-[(1-ethylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-methylphenoxy]-N-methylacetamide
CID 122446530
2-[4-[6-bromo-7-[(1-ethylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-fluorophenoxy]-N-methylacetamide
CID 122446476
6-bromo-N-(1-methylpiperidin-4-yl)-2-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 134177285
6-bromo-N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 134177219

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1-ethylpiperidin-4-yl)-2-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 6-bromo-N-(1-ethylpiperidin-4-yl)-2-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine (CID 134177275) is 6-bromo-N-(1-ethylpiperidin-4-yl)-2-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 6-bromo-N-(1-ethylpiperidin-4-yl)-2-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 6-bromo-N-(1-ethylpiperidin-4-yl)-2-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine is CCN1CCC(Nc2c(Br)cnc3nc(-c4ccc(N5CCN(CCOC)CC5)cc4F)[nH]c23)CC1.
What is the InChIKey of 6-bromo-N-(1-ethylpiperidin-4-yl)-2-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?
The InChIKey is MFUDFLYHSWLSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35BrFN7O/c1-3-33-8-6-18(7-9-33)30-23-21(27)17-29-26-24(23)31-25(32-26)20-5-4-19(16-22(20)28)35-12-10-34(11-13-35)14-15-36-2/h4-5,16-18H,3,6-15H2,1-2H3,(H2,29,30,31,32).
What are the key properties of 6-bromo-N-(1-ethylpiperidin-4-yl)-2-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?
6-bromo-N-(1-ethylpiperidin-4-yl)-2-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 560.52 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1-ethylpiperidin-4-yl)-2-[2-fluoro-4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 134177275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).