3-chloro-N-[(2S)-1-[4-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide

C28H29ClFN3O3 — CID 16723012

IUPAC3-chloro-N-[(2S)-1-[4-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide
SMILESCc1cccn2c(F)c(-c3ccc(C[C@@H](CCO)NC(=O)c4ccc(OC(C)C)c(Cl)c4)cc3)nc12
InChIInChI=1S/C28H29ClFN3O3/c1-17(2)36-24-11-10-21(16-23(24)29)28(35)31-22(12-14-34)15-19-6-8-20(9-7-19)25-26(30)33-13-4-5-18(3)27(33)32-25/h4-11,13,16-17,22,34H,12,14-15H2,1-3H3,(H,31,35)/t22-/m1/s1
InChIKeyYKGASXCNMKDMDG-JOCHJYFZSA-N
MW510.01 g/mol
LogP5.61
Rot. Bonds9

About 3-chloro-N-[(2S)-1-[4-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide

3-chloro-N-[(2S)-1-[4-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide (PubChem CID 16723012) has the molecular formula C28H29ClFN3O3 and a molecular weight of 510.01 g/mol. Its IUPAC name is 3-chloro-N-[(2S)-1-[4-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[(2S)-1-[4-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide
PubChem CID16723012
Molecular FormulaC28H29ClFN3O3
Molecular Weight510.01 g/mol
Exact Mass509.19
IUPAC Name3-chloro-N-[(2S)-1-[4-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide
SMILESCc1cccn2c(F)c(-c3ccc(C[C@@H](CCO)NC(=O)c4ccc(OC(C)C)c(Cl)c4)cc3)nc12
InChIInChI=1S/C28H29ClFN3O3/c1-17(2)36-24-11-10-21(16-23(24)29)28(35)31-22(12-14-34)15-19-6-8-20(9-7-19)25-26(30)33-13-4-5-18(3)27(33)32-25/h4-11,13,16-17,22,34H,12,14-15H2,1-3H3,(H,31,35)/t22-/m1/s1
InChIKeyYKGASXCNMKDMDG-JOCHJYFZSA-N
XLogP5.61
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.01
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-5-amino-1-[4-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-oxopentan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
CID 68555445
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
3-chloro-N-[(2S)-1-(4-ethylphenyl)-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide
CID 173146094
N-[1-[4-(4-butyl-5-methyl-1H-imidazol-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
CID 142759797
N-[1-[4-(2-acetyl-1-methylimidazol-4-yl)phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
CID 67277848
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-[2-(1-aminoethyl)-1-methylimidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-3-chloro-4-propan-2-yloxybenzamide
CID 70973511
2,3-dichloro-N-[4-hydroxy-1-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butan-2-yl]-4-propan-2-yloxybenzamide
CID 68653901
3-chloro-N-[(2S)-4-hydroxy-1-[4-[1-methyl-2-[1-(sulfonylamino)ethyl]imidazol-4-yl]phenyl]butan-2-yl]-4-propan-2-yloxybenzamide
CID 89090892
3-chloro-N-[1-[4-[2-(4-chlorophenyl)-2-oxoethyl]phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide
CID 163499493
3-chloro-N-[(2S)-1-[4-[1-ethyl-2-[(1R)-1-formamidoethyl]imidazol-4-yl]phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide
CID 11497387
N-[1-[4-(8-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-3-cyano-4-propan-2-yloxybenzamide
CID 68652284

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2S)-1-[4-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide?
The IUPAC name of 3-chloro-N-[(2S)-1-[4-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide (CID 16723012) is 3-chloro-N-[(2S)-1-[4-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-chloro-N-[(2S)-1-[4-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-chloro-N-[(2S)-1-[4-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide is Cc1cccn2c(F)c(-c3ccc(C[C@@H](CCO)NC(=O)c4ccc(OC(C)C)c(Cl)c4)cc3)nc12.
What is the InChIKey of 3-chloro-N-[(2S)-1-[4-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide?
The InChIKey is YKGASXCNMKDMDG-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H29ClFN3O3/c1-17(2)36-24-11-10-21(16-23(24)29)28(35)31-22(12-14-34)15-19-6-8-20(9-7-19)25-26(30)33-13-4-5-18(3)27(33)32-25/h4-11,13,16-17,22,34H,12,14-15H2,1-3H3,(H,31,35)/t22-/m1/s1.
What are the key properties of 3-chloro-N-[(2S)-1-[4-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide?
3-chloro-N-[(2S)-1-[4-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide has a molecular weight of 510.01 g/mol, XLogP of 5.61, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2S)-1-[4-(3-fluoro-8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 16723012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).