2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide

C23H28ClFN6O2 — CID 122484871

IUPAC2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc(-c2nc3ncc(Cl)c(NC4CCN(C)CC4)c3[nH]2)cc1F
InChIInChI=1S/C23H28ClFN6O2/c1-13(2)27-19(32)12-33-18-5-4-14(10-17(18)25)22-29-21-20(16(24)11-26-23(21)30-22)28-15-6-8-31(3)9-7-15/h4-5,10-11,13,15H,6-9,12H2,1-3H3,(H,27,32)(H2,26,28,29,30)
InChIKeyDVLUPNWOMMHWAH-UHFFFAOYSA-N
MW474.97 g/mol
LogP3.83
Rot. Bonds7

About 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide

2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide (PubChem CID 122484871) has the molecular formula C23H28ClFN6O2 and a molecular weight of 474.97 g/mol. Its IUPAC name is 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide
PubChem CID122484871
Molecular FormulaC23H28ClFN6O2
Molecular Weight474.97 g/mol
Exact Mass474.19
IUPAC Name2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc(-c2nc3ncc(Cl)c(NC4CCN(C)CC4)c3[nH]2)cc1F
InChIInChI=1S/C23H28ClFN6O2/c1-13(2)27-19(32)12-33-18-5-4-14(10-17(18)25)22-29-21-20(16(24)11-26-23(21)30-22)28-15-6-8-31(3)9-7-15/h4-5,10-11,13,15H,6-9,12H2,1-3H3,(H,27,32)(H2,26,28,29,30)
InChIKeyDVLUPNWOMMHWAH-UHFFFAOYSA-N
XLogP3.83
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide with MolForge

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Related Compounds

2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-methylphenoxy]-N-methylacetamide
CID 122484993
N-butan-2-yl-2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]acetamide;ethane
CID 145132646
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-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-cycloheptylacetamide
CID 122485041
methyl 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]acetate
CID 140829764
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-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(2-cyclohexylethyl)acetamide
CID 122484990
[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl] acetate
CID 175138627
2-[4-[6-chloro-7-[[(3S)-1-methylpyrrolidin-3-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-methylacetamide
CID 122446623
2-[4-[6-bromo-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-methoxyphenoxy]-N-methylacetamide
CID 122446620
N-[2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethyl]acetamide
CID 122446504
2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 122484969

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide (CID 122484871) is 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide is CC(C)NC(=O)COc1ccc(-c2nc3ncc(Cl)c(NC4CCN(C)CC4)c3[nH]2)cc1F.
What is the InChIKey of 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide?
The InChIKey is DVLUPNWOMMHWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClFN6O2/c1-13(2)27-19(32)12-33-18-5-4-14(10-17(18)25)22-29-21-20(16(24)11-26-23(21)30-22)28-15-6-8-31(3)9-7-15/h4-5,10-11,13,15H,6-9,12H2,1-3H3,(H,27,32)(H2,26,28,29,30).
What are the key properties of 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide?
2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide has a molecular weight of 474.97 g/mol, XLogP of 3.83, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 122484871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).