N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxypentan-2-yl]-3-cyano-4-propan-2-yloxybenzamide

C29H29ClN4O3 — CID 11627719

IUPACN-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxypentan-2-yl]-3-cyano-4-propan-2-yloxybenzamide
SMILESCC(O)C[C@H](Cc1ccc(-c2cn3cccc(Cl)c3n2)cc1)NC(=O)c1ccc(OC(C)C)c(C#N)c1
InChIInChI=1S/C29H29ClN4O3/c1-18(2)37-27-11-10-22(15-23(27)16-31)29(36)32-24(13-19(3)35)14-20-6-8-21(9-7-20)26-17-34-12-4-5-25(30)28(34)33-26/h4-12,15,17-19,24,35H,13-14H2,1-3H3,(H,32,36)/t19?,24-/m1/s1
InChIKeyKKVHERPCGHGKAD-JKSFWZLDSA-N
MW517.03 g/mol
LogP5.43
Rot. Bonds9

About N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxypentan-2-yl]-3-cyano-4-propan-2-yloxybenzamide

N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxypentan-2-yl]-3-cyano-4-propan-2-yloxybenzamide (PubChem CID 11627719) has the molecular formula C29H29ClN4O3 and a molecular weight of 517.03 g/mol. Its IUPAC name is N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxypentan-2-yl]-3-cyano-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxypentan-2-yl]-3-cyano-4-propan-2-yloxybenzamide
PubChem CID11627719
Molecular FormulaC29H29ClN4O3
Molecular Weight517.03 g/mol
Exact Mass516.19
IUPAC NameN-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxypentan-2-yl]-3-cyano-4-propan-2-yloxybenzamide
SMILESCC(O)C[C@H](Cc1ccc(-c2cn3cccc(Cl)c3n2)cc1)NC(=O)c1ccc(OC(C)C)c(C#N)c1
InChIInChI=1S/C29H29ClN4O3/c1-18(2)37-27-11-10-22(15-23(27)16-31)29(36)32-24(13-19(3)35)14-20-6-8-21(9-7-20)26-17-34-12-4-5-25(30)28(34)33-26/h4-12,15,17-19,24,35H,13-14H2,1-3H3,(H,32,36)/t19?,24-/m1/s1
InChIKeyKKVHERPCGHGKAD-JKSFWZLDSA-N
XLogP5.43
TPSA99.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.03
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide
CID 68652284
N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide
CID 68652012
3-chloro-N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide
CID 11699157
N-[5-amino-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-5-oxopentan-2-yl]-3-cyano-4-propan-2-yloxybenzamide
CID 68651185
3-cyano-N-[(2S)-4-hydroxy-1-[4-(8-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide;methane
CID 161057370
N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide
CID 70945062
3-chloro-N-[(2S)-1-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]-3-[[(2S)-2-hydroxypropanoyl]amino]propan-2-yl]-4-propan-2-yloxybenzamide;uranium
CID 160992648
N-[1-(2-aminopropanoylamino)-3-[4-[8-(1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
CID 68651321
N-[1-[(2-amino-2-methylpropanoyl)amino]-3-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
CID 56644715
N-[1-(3-aminopropanoylamino)-3-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
CID 68652176
3-chloro-N-[(2S)-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenylmethoxybutan-2-yl]-4-propan-2-yloxybenzamide
CID 58001938
N-[1-[4-(8-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-3-[[2-(dimethylamino)acetyl]amino]propan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
CID 68651904

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxypentan-2-yl]-3-cyano-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxypentan-2-yl]-3-cyano-4-propan-2-yloxybenzamide (CID 11627719) is N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxypentan-2-yl]-3-cyano-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxypentan-2-yl]-3-cyano-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxypentan-2-yl]-3-cyano-4-propan-2-yloxybenzamide is CC(O)C[C@H](Cc1ccc(-c2cn3cccc(Cl)c3n2)cc1)NC(=O)c1ccc(OC(C)C)c(C#N)c1.
What is the InChIKey of N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxypentan-2-yl]-3-cyano-4-propan-2-yloxybenzamide?
The InChIKey is KKVHERPCGHGKAD-JKSFWZLDSA-N. The full InChI is InChI=1S/C29H29ClN4O3/c1-18(2)37-27-11-10-22(15-23(27)16-31)29(36)32-24(13-19(3)35)14-20-6-8-21(9-7-20)26-17-34-12-4-5-25(30)28(34)33-26/h4-12,15,17-19,24,35H,13-14H2,1-3H3,(H,32,36)/t19?,24-/m1/s1.
What are the key properties of N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxypentan-2-yl]-3-cyano-4-propan-2-yloxybenzamide?
N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxypentan-2-yl]-3-cyano-4-propan-2-yloxybenzamide has a molecular weight of 517.03 g/mol, XLogP of 5.43, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxypentan-2-yl]-3-cyano-4-propan-2-yloxybenzamide is sourced from PubChem (CID 11627719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).