2-[4-[6-chloro-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N,2-dimethylpropanamide

C25H33ClN6O2 — CID 122446430

IUPAC2-[4-[6-chloro-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)Oc1ccc(-c2nc3ncc(Cl)c(NC4CCN(C(C)C)CC4)c3[nH]2)cc1
InChIInChI=1S/C25H33ClN6O2/c1-15(2)32-12-10-17(11-13-32)29-20-19(26)14-28-23-21(20)30-22(31-23)16-6-8-18(9-7-16)34-25(3,4)24(33)27-5/h6-9,14-15,17H,10-13H2,1-5H3,(H,27,33)(H2,28,29,30,31)
InChIKeyLJUZQGCAZDWJNH-UHFFFAOYSA-N
MW485.03 g/mol
LogP4.47
Rot. Bonds7

About 2-[4-[6-chloro-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N,2-dimethylpropanamide

2-[4-[6-chloro-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N,2-dimethylpropanamide (PubChem CID 122446430) has the molecular formula C25H33ClN6O2 and a molecular weight of 485.03 g/mol. Its IUPAC name is 2-[4-[6-chloro-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-[4-[6-chloro-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N,2-dimethylpropanamide
PubChem CID122446430
Molecular FormulaC25H33ClN6O2
Molecular Weight485.03 g/mol
Exact Mass484.24
IUPAC Name2-[4-[6-chloro-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)Oc1ccc(-c2nc3ncc(Cl)c(NC4CCN(C(C)C)CC4)c3[nH]2)cc1
InChIInChI=1S/C25H33ClN6O2/c1-15(2)32-12-10-17(11-13-32)29-20-19(26)14-28-23-21(20)30-22(31-23)16-6-8-18(9-7-16)34-25(3,4)24(33)27-5/h6-9,14-15,17H,10-13H2,1-5H3,(H,27,33)(H2,28,29,30,31)
InChIKeyLJUZQGCAZDWJNH-UHFFFAOYSA-N
XLogP4.47
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.03
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[4-[4-[6-chloro-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]piperazin-1-yl]ethanone
CID 134177207
2-[4-[6-chloro-7-[[(3S)-1-methylpyrrolidin-3-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-methylacetamide
CID 122446623
methyl 2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]acetate
CID 140829764
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-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
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-(2-phenoxyethyl)piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-methylacetamide
CID 122446497
2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-cycloheptylacetamide
CID 122485041
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
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
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-chloro-N-(1-methylpiperidin-4-yl)-2-[4-(4-pyridin-4-ylpiperazin-1-yl)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 134177287

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-chloro-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N,2-dimethylpropanamide?
The IUPAC name of 2-[4-[6-chloro-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N,2-dimethylpropanamide (CID 122446430) is 2-[4-[6-chloro-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-[4-[6-chloro-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N,2-dimethylpropanamide?
The canonical SMILES for 2-[4-[6-chloro-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N,2-dimethylpropanamide is CNC(=O)C(C)(C)Oc1ccc(-c2nc3ncc(Cl)c(NC4CCN(C(C)C)CC4)c3[nH]2)cc1.
What is the InChIKey of 2-[4-[6-chloro-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N,2-dimethylpropanamide?
The InChIKey is LJUZQGCAZDWJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN6O2/c1-15(2)32-12-10-17(11-13-32)29-20-19(26)14-28-23-21(20)30-22(31-23)16-6-8-18(9-7-16)34-25(3,4)24(33)27-5/h6-9,14-15,17H,10-13H2,1-5H3,(H,27,33)(H2,28,29,30,31).
What are the key properties of 2-[4-[6-chloro-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N,2-dimethylpropanamide?
2-[4-[6-chloro-7-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N,2-dimethylpropanamide has a molecular weight of 485.03 g/mol, XLogP of 4.47, 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-propan-2-ylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N,2-dimethylpropanamide is sourced from PubChem (CID 122446430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).