3-[4-[6-chloro-7-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N-methylpropanamide

C29H33ClN6O2 — CID 122446452

IUPAC3-[4-[6-chloro-7-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N-methylpropanamide
SMILESCNC(=O)CCc1ccc(-c2nc3ncc(Cl)c(NC4CCN(Cc5ccc(OC)cc5)CC4)c3[nH]2)cc1
InChIInChI=1S/C29H33ClN6O2/c1-31-25(37)12-7-19-3-8-21(9-4-19)28-34-27-26(24(30)17-32-29(27)35-28)33-22-13-15-36(16-14-22)18-20-5-10-23(38-2)11-6-20/h3-6,8-11,17,22H,7,12-16,18H2,1-2H3,(H,31,37)(H2,32,33,34,35)
InChIKeyYDLICFQTESNRGW-UHFFFAOYSA-N
MW533.08 g/mol
LogP5.04
Rot. Bonds9

About 3-[4-[6-chloro-7-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N-methylpropanamide

3-[4-[6-chloro-7-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N-methylpropanamide (PubChem CID 122446452) has the molecular formula C29H33ClN6O2 and a molecular weight of 533.08 g/mol. Its IUPAC name is 3-[4-[6-chloro-7-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-[6-chloro-7-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N-methylpropanamide
PubChem CID122446452
Molecular FormulaC29H33ClN6O2
Molecular Weight533.08 g/mol
Exact Mass532.24
IUPAC Name3-[4-[6-chloro-7-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N-methylpropanamide
SMILESCNC(=O)CCc1ccc(-c2nc3ncc(Cl)c(NC4CCN(Cc5ccc(OC)cc5)CC4)c3[nH]2)cc1
InChIInChI=1S/C29H33ClN6O2/c1-31-25(37)12-7-19-3-8-21(9-4-19)28-34-27-26(24(30)17-32-29(27)35-28)33-22-13-15-36(16-14-22)18-20-5-10-23(38-2)11-6-20/h3-6,8-11,17,22H,7,12-16,18H2,1-2H3,(H,31,37)(H2,32,33,34,35)
InChIKeyYDLICFQTESNRGW-UHFFFAOYSA-N
XLogP5.04
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.08
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-[6-chloro-7-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethyl]pyridine-4-carboxamide
CID 122446610
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
4-[4-[6-chloro-7-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-1-(3-methoxypropyl)piperazin-2-one
CID 134177001
6-chloro-N-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-[4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 134177128
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-[7-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-[2-(dimethylamino)ethyl]acetamide
CID 140829762
6-chloro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-[4-[4-[2-[(2-methylpyrazol-3-yl)amino]ethyl]piperazin-1-yl]phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 134177012
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]phenoxy]-N-cycloheptylacetamide
CID 122485041
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-(thiophen-3-ylmethyl)piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(1,2-oxazol-3-yl)acetamide
CID 122484918

Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-chloro-7-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N-methylpropanamide?
The IUPAC name of 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) is 3-[4-[6-chloro-7-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N-methylpropanamide.
What is the SMILES notation for 3-[4-[6-chloro-7-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N-methylpropanamide?
The canonical SMILES for 3-[4-[6-chloro-7-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N-methylpropanamide is CNC(=O)CCc1ccc(-c2nc3ncc(Cl)c(NC4CCN(Cc5ccc(OC)cc5)CC4)c3[nH]2)cc1.
What is the InChIKey of 3-[4-[6-chloro-7-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N-methylpropanamide?
The InChIKey is YDLICFQTESNRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClN6O2/c1-31-25(37)12-7-19-3-8-21(9-4-19)28-34-27-26(24(30)17-32-29(27)35-28)33-22-13-15-36(16-14-22)18-20-5-10-23(38-2)11-6-20/h3-6,8-11,17,22H,7,12-16,18H2,1-2H3,(H,31,37)(H2,32,33,34,35).
What are the key properties of 3-[4-[6-chloro-7-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N-methylpropanamide?
3-[4-[6-chloro-7-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N-methylpropanamide has a molecular weight of 533.08 g/mol, XLogP of 5.04, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-chloro-7-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 122446452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).