4-chloro-N-[(3S,4R)-1-(2-cyclopropylimidazo[1,2-a]pyridin-8-yl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide

C28H23ClF2N4O3 — CID 169319128

IUPAC4-chloro-N-[(3S,4R)-1-(2-cyclopropylimidazo[1,2-a]pyridin-8-yl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide
SMILESCOc1cc(F)c([C@@H]2CN(c3cccn4cc(C5CC5)nc34)C(=O)[C@H]2NC(=O)c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C28H23ClF2N4O3/c1-38-18-11-20(30)24(21(31)12-18)19-13-35(23-3-2-10-34-14-22(15-4-5-15)32-26(23)34)28(37)25(19)33-27(36)16-6-8-17(29)9-7-16/h2-3,6-12,14-15,19,25H,4-5,13H2,1H3,(H,33,36)/t19-,25-/m0/s1
InChIKeyWJJLHSZEEBFEMC-DFBJGRDBSA-N
MW536.97 g/mol
LogP5.08
Rot. Bonds6

About 4-chloro-N-[(3S,4R)-1-(2-cyclopropylimidazo[1,2-a]pyridin-8-yl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide

4-chloro-N-[(3S,4R)-1-(2-cyclopropylimidazo[1,2-a]pyridin-8-yl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide (PubChem CID 169319128) has the molecular formula C28H23ClF2N4O3 and a molecular weight of 536.97 g/mol. Its IUPAC name is 4-chloro-N-[(3S,4R)-1-(2-cyclopropylimidazo[1,2-a]pyridin-8-yl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(3S,4R)-1-(2-cyclopropylimidazo[1,2-a]pyridin-8-yl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide
PubChem CID169319128
Molecular FormulaC28H23ClF2N4O3
Molecular Weight536.97 g/mol
Exact Mass536.14
IUPAC Name4-chloro-N-[(3S,4R)-1-(2-cyclopropylimidazo[1,2-a]pyridin-8-yl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide
SMILESCOc1cc(F)c([C@@H]2CN(c3cccn4cc(C5CC5)nc34)C(=O)[C@H]2NC(=O)c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C28H23ClF2N4O3/c1-38-18-11-20(30)24(21(31)12-18)19-13-35(23-3-2-10-34-14-22(15-4-5-15)32-26(23)34)28(37)25(19)33-27(36)16-6-8-17(29)9-7-16/h2-3,6-12,14-15,19,25H,4-5,13H2,1H3,(H,33,36)/t19-,25-/m0/s1
InChIKeyWJJLHSZEEBFEMC-DFBJGRDBSA-N
XLogP5.08
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.97
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[(3S,4R)-1-(2-cyclopropylimidazo[1,2-a]pyridin-8-yl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide with MolForge

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Related Compounds

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[4-[[2-(4-Chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(trifluoromethyloxy)pyridin-2-yl]methanone
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CID 24945828
13-(3-Imidazol-1-ylpropylamino)-9-[2-(4-methoxyphenyl)ethyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-8-one
CID 46842282
6-chloro-2-ethyl-N-[[4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
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7-chloro-2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
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N-cyclopropyl-4-[6-(2-methoxyphenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
CID 66554609
7-chloro-2-ethyl-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234753
7-Chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidinyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234870
6-chloro-2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3S,4R)-1-(2-cyclopropylimidazo[1,2-a]pyridin-8-yl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[(3S,4R)-1-(2-cyclopropylimidazo[1,2-a]pyridin-8-yl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide (CID 169319128) is 4-chloro-N-[(3S,4R)-1-(2-cyclopropylimidazo[1,2-a]pyridin-8-yl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[(3S,4R)-1-(2-cyclopropylimidazo[1,2-a]pyridin-8-yl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[(3S,4R)-1-(2-cyclopropylimidazo[1,2-a]pyridin-8-yl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide is COc1cc(F)c([C@@H]2CN(c3cccn4cc(C5CC5)nc34)C(=O)[C@H]2NC(=O)c2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of 4-chloro-N-[(3S,4R)-1-(2-cyclopropylimidazo[1,2-a]pyridin-8-yl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide?
The InChIKey is WJJLHSZEEBFEMC-DFBJGRDBSA-N. The full InChI is InChI=1S/C28H23ClF2N4O3/c1-38-18-11-20(30)24(21(31)12-18)19-13-35(23-3-2-10-34-14-22(15-4-5-15)32-26(23)34)28(37)25(19)33-27(36)16-6-8-17(29)9-7-16/h2-3,6-12,14-15,19,25H,4-5,13H2,1H3,(H,33,36)/t19-,25-/m0/s1.
What are the key properties of 4-chloro-N-[(3S,4R)-1-(2-cyclopropylimidazo[1,2-a]pyridin-8-yl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide?
4-chloro-N-[(3S,4R)-1-(2-cyclopropylimidazo[1,2-a]pyridin-8-yl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide has a molecular weight of 536.97 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3S,4R)-1-(2-cyclopropylimidazo[1,2-a]pyridin-8-yl)-4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 169319128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).