2-[4-[6-bromo-7-[(1-ethylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-methylphenoxy]-N-methylacetamide

C23H29BrN6O2 — CID 122446530

IUPAC2-[4-[6-bromo-7-[(1-ethylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-methylphenoxy]-N-methylacetamide
SMILESCCN1CCC(Nc2c(Br)cnc3nc(-c4ccc(OCC(=O)NC)cc4C)[nH]c23)CC1
InChIInChI=1S/C23H29BrN6O2/c1-4-30-9-7-15(8-10-30)27-20-18(24)12-26-23-21(20)28-22(29-23)17-6-5-16(11-14(17)2)32-13-19(31)25-3/h5-6,11-12,15H,4,7-10,13H2,1-3H3,(H,25,31)(H2,26,27,28,29)
InChIKeySEHPIBDETXXZDD-UHFFFAOYSA-N
MW501.43 g/mol
LogP3.72
Rot. Bonds7

About 2-[4-[6-bromo-7-[(1-ethylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-methylphenoxy]-N-methylacetamide

2-[4-[6-bromo-7-[(1-ethylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-methylphenoxy]-N-methylacetamide (PubChem CID 122446530) has the molecular formula C23H29BrN6O2 and a molecular weight of 501.43 g/mol. Its IUPAC name is 2-[4-[6-bromo-7-[(1-ethylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-methylphenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[6-bromo-7-[(1-ethylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-methylphenoxy]-N-methylacetamide
PubChem CID122446530
Molecular FormulaC23H29BrN6O2
Molecular Weight501.43 g/mol
Exact Mass500.15
IUPAC Name2-[4-[6-bromo-7-[(1-ethylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-methylphenoxy]-N-methylacetamide
SMILESCCN1CCC(Nc2c(Br)cnc3nc(-c4ccc(OCC(=O)NC)cc4C)[nH]c23)CC1
InChIInChI=1S/C23H29BrN6O2/c1-4-30-9-7-15(8-10-30)27-20-18(24)12-26-23-21(20)28-22(29-23)17-6-5-16(11-14(17)2)32-13-19(31)25-3/h5-6,11-12,15H,4,7-10,13H2,1-3H3,(H,25,31)(H2,26,27,28,29)
InChIKeySEHPIBDETXXZDD-UHFFFAOYSA-N
XLogP3.72
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.43
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[6-bromo-7-[(1-ethylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-fluorophenoxy]-N-methylacetamide
CID 122446476
2-[4-[6-bromo-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-methoxyphenoxy]-N-methylacetamide
CID 122446620
2-[4-[6-bromo-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-propan-2-ylacetamide
CID 122446562
2-[4-[6-chloro-7-[[1-(2-phenoxyethyl)piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-methylacetamide
CID 122446497
2-[4-[6-chloro-7-[[(3S)-1-methylpyrrolidin-3-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-methylacetamide
CID 122446623
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
2-[3-[6-chloro-7-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-methylacetamide
CID 122446388
2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-methylphenoxy]-N-methylacetamide
CID 122484993
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
3-[4-[6-chloro-7-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N-methylpropanamide
CID 122446452
N-[3-[3-[6-bromo-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2,5-dimethylpyrrol-1-yl]phenyl]-N-methyl-2-morpholin-4-ylacetamide
CID 178180564
2-[4-[6-methyl-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide
CID 145132638

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-bromo-7-[(1-ethylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-methylphenoxy]-N-methylacetamide?
The IUPAC name of 2-[4-[6-bromo-7-[(1-ethylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-methylphenoxy]-N-methylacetamide (CID 122446530) is 2-[4-[6-bromo-7-[(1-ethylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-methylphenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[4-[6-bromo-7-[(1-ethylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-methylphenoxy]-N-methylacetamide?
The canonical SMILES for 2-[4-[6-bromo-7-[(1-ethylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-methylphenoxy]-N-methylacetamide is CCN1CCC(Nc2c(Br)cnc3nc(-c4ccc(OCC(=O)NC)cc4C)[nH]c23)CC1.
What is the InChIKey of 2-[4-[6-bromo-7-[(1-ethylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-methylphenoxy]-N-methylacetamide?
The InChIKey is SEHPIBDETXXZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrN6O2/c1-4-30-9-7-15(8-10-30)27-20-18(24)12-26-23-21(20)28-22(29-23)17-6-5-16(11-14(17)2)32-13-19(31)25-3/h5-6,11-12,15H,4,7-10,13H2,1-3H3,(H,25,31)(H2,26,27,28,29).
What are the key properties of 2-[4-[6-bromo-7-[(1-ethylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-methylphenoxy]-N-methylacetamide?
2-[4-[6-bromo-7-[(1-ethylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-methylphenoxy]-N-methylacetamide has a molecular weight of 501.43 g/mol, XLogP of 3.72, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-bromo-7-[(1-ethylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-3-methylphenoxy]-N-methylacetamide is sourced from PubChem (CID 122446530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).