(2R)-N-[(1S)-2-[(2S)-2-[8-(4-ethylphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-(6-fluoro-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(5-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(7-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide

C150H189FN20O15 — CID 157171317

IUPAC(2R)-N-[(1S)-2-[(2S)-2-[8-(4-ethylphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-(6-fluoro-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(5-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(7-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide
SMILESCC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2c(C)ccc(-c3ccccc3)c2n1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cc(C)cc(-c3ccccc3)c2n1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cc(F)cc(-c3ccccc3)c2n1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2ccc(C)c(-c3ccccc3)c2n1)C1CCOCC1.CCc1ccc(-c2cccn3cc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@H](C)CC)C4CCOCC4)nc23)cc1
InChIInChI=1S/C31H40N4O3.3C30H38N4O3.C29H35FN4O3/c1-4-21(3)30(36)33-28(24-14-18-38-19-15-24)31(37)35-17-7-9-27(35)26-20-34-16-6-8-25(29(34)32-26)23-12-10-22(5-2)11-13-23;1-4-20(2)29(35)32-27(23-13-17-37-18-14-23)30(36)34-15-8-11-25(34)24-19-33-16-12-21(3)26(28(33)31-24)22-9-6-5-7-10-22;1-4-21(3)29(35)32-27(23-12-15-37-16-13-23)30(36)34-14-8-11-26(34)25-19-33-18-20(2)17-24(28(33)31-25)22-9-6-5-7-10-22;1-4-20(2)29(35)32-27(23-14-17-37-18-15-23)30(36)33-16-8-11-26(33)25-19-34-21(3)12-13-24(28(34)31-25)22-9-6-5-7-10-22;1-3-19(2)28(35)32-26(21-11-14-37-15-12-21)29(36)34-13-7-10-25(34)24-18-33-17-22(30)16-23(27(33)31-24)20-8-5-4-6-9-20/h6,8,10-13,16,20-21,24,27-28H,4-5,7,9,14-15,17-19H2,1-3H3,(H,33,36);5-7,9-10,12,16,19-20,23,25,27H,4,8,11,13-15,17-18H2,1-3H3,(H,32,35);5-7,9-10,17-19,21,23,26-27H,4,8,11-16H2,1-3H3,(H,32,35);5-7,9-10,12-13,19-20,23,26-27H,4,8,11,14-18H2,1-3H3,(H,32,35);4-6,8-9,16-19,21,25-26H,3,7,10-15H2,1-2H3,(H,32,35)/t21-,27+,28+;20-,25+,27+;21-,26+,27+;20-,26+,27+;19-,25+,26+/m11111/s1
InChIKeyANMPJWLBWIMJGY-CWLAISENSA-N
MW2531.28 g/mol
LogP24.74
Rot. Bonds36

About (2R)-N-[(1S)-2-[(2S)-2-[8-(4-ethylphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-(6-fluoro-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(5-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(7-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide

(2R)-N-[(1S)-2-[(2S)-2-[8-(4-ethylphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-(6-fluoro-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(5-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(7-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide (PubChem CID 157171317) has the molecular formula C150H189FN20O15 and a molecular weight of 2531.28 g/mol. Its IUPAC name is (2R)-N-[(1S)-2-[(2S)-2-[8-(4-ethylphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-(6-fluoro-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(5-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(7-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-2-[(2S)-2-[8-(4-ethylphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-(6-fluoro-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(5-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(7-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide
PubChem CID157171317
Molecular FormulaC150H189FN20O15
Molecular Weight2531.28 g/mol
Exact Mass2529.46
IUPAC Name(2R)-N-[(1S)-2-[(2S)-2-[8-(4-ethylphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-(6-fluoro-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(5-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(7-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide
SMILESCC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2c(C)ccc(-c3ccccc3)c2n1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cc(C)cc(-c3ccccc3)c2n1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cc(F)cc(-c3ccccc3)c2n1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2ccc(C)c(-c3ccccc3)c2n1)C1CCOCC1.CCc1ccc(-c2cccn3cc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@H](C)CC)C4CCOCC4)nc23)cc1
InChIInChI=1S/C31H40N4O3.3C30H38N4O3.C29H35FN4O3/c1-4-21(3)30(36)33-28(24-14-18-38-19-15-24)31(37)35-17-7-9-27(35)26-20-34-16-6-8-25(29(34)32-26)23-12-10-22(5-2)11-13-23;1-4-20(2)29(35)32-27(23-13-17-37-18-14-23)30(36)34-15-8-11-25(34)24-19-33-16-12-21(3)26(28(33)31-24)22-9-6-5-7-10-22;1-4-21(3)29(35)32-27(23-12-15-37-16-13-23)30(36)34-14-8-11-26(34)25-19-33-18-20(2)17-24(28(33)31-25)22-9-6-5-7-10-22;1-4-20(2)29(35)32-27(23-14-17-37-18-15-23)30(36)33-16-8-11-26(33)25-19-34-21(3)12-13-24(28(34)31-25)22-9-6-5-7-10-22;1-3-19(2)28(35)32-26(21-11-14-37-15-12-21)29(36)34-13-7-10-25(34)24-18-33-17-22(30)16-23(27(33)31-24)20-8-5-4-6-9-20/h6,8,10-13,16,20-21,24,27-28H,4-5,7,9,14-15,17-19H2,1-3H3,(H,33,36);5-7,9-10,12,16,19-20,23,25,27H,4,8,11,13-15,17-18H2,1-3H3,(H,32,35);5-7,9-10,17-19,21,23,26-27H,4,8,11-16H2,1-3H3,(H,32,35);5-7,9-10,12-13,19-20,23,26-27H,4,8,11,14-18H2,1-3H3,(H,32,35);4-6,8-9,16-19,21,25-26H,3,7,10-15H2,1-2H3,(H,32,35)/t21-,27+,28+;20-,25+,27+;21-,26+,27+;20-,26+,27+;19-,25+,26+/m11111/s1
InChIKeyANMPJWLBWIMJGY-CWLAISENSA-N
XLogP24.74
TPSA379.70 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds36
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002531.28
LogP ≤ 524.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze (2R)-N-[(1S)-2-[(2S)-2-[8-(4-ethylphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-(6-fluoro-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(5-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(7-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide with MolForge

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Related Compounds

(2S)-N-[(1S)-2-[(2S)-2-(6-fluoro-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide
CID 24965408
(2S)-N-[(1S)-2-[(2S)-2-[8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide
CID 24965758
(2R)-N-[(1S)-2-[(2S)-2-[8-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide
CID 58056726
(2R)-N-[(1S)-2-[(2S)-2-[8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide
CID 58056732
(2R)-N-[(1S)-2-[(2S)-2-(6-fluoro-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide
CID 58056734
methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-[4-[4-[5-fluoro-2-[(1R,3S)-2-[2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate
CID 58519231
methyl N-[(1S)-2-[(2S,5S)-2-[5-[4-[4-[5-fluoro-2-[(2S,5S)-1-[2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-methylpyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate
CID 58519329
methyl N-[(1S)-2-[(1R,3S,5R)-3-[5-fluoro-4-[4-[4-[2-[(1R,3S,5R)-2-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate
CID 58519372
methyl N-[(1S)-2-[(2S,5S)-2-[5-fluoro-4-[4-[4-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-methylpyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate
CID 58519410
(2S)-N-[(1S)-2-[(2S)-2-[8-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide
CID 59334648
methyl N-[2-[3-[5-fluoro-4-[4-[4-[2-[2-[2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[3.1.0]hexan-2-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate
CID 75992540
methyl N-[2-[2-[5-fluoro-4-[4-[4-[2-[1-[2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-methylpyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate
CID 75992609

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-2-[(2S)-2-[8-(4-ethylphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-(6-fluoro-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(5-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(7-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide?
The IUPAC name of (2R)-N-[(1S)-2-[(2S)-2-[8-(4-ethylphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-(6-fluoro-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(5-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(7-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide (CID 157171317) is (2R)-N-[(1S)-2-[(2S)-2-[8-(4-ethylphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-(6-fluoro-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(5-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(7-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide.
What is the SMILES notation for (2R)-N-[(1S)-2-[(2S)-2-[8-(4-ethylphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-(6-fluoro-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(5-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(7-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide?
The canonical SMILES for (2R)-N-[(1S)-2-[(2S)-2-[8-(4-ethylphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-(6-fluoro-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(5-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(7-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide is CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2c(C)ccc(-c3ccccc3)c2n1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cc(C)cc(-c3ccccc3)c2n1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2cc(F)cc(-c3ccccc3)c2n1)C1CCOCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1cn2ccc(C)c(-c3ccccc3)c2n1)C1CCOCC1.CCc1ccc(-c2cccn3cc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@H](C)CC)C4CCOCC4)nc23)cc1.
What is the InChIKey of (2R)-N-[(1S)-2-[(2S)-2-[8-(4-ethylphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-(6-fluoro-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(5-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(7-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide?
The InChIKey is ANMPJWLBWIMJGY-CWLAISENSA-N. The full InChI is InChI=1S/C31H40N4O3.3C30H38N4O3.C29H35FN4O3/c1-4-21(3)30(36)33-28(24-14-18-38-19-15-24)31(37)35-17-7-9-27(35)26-20-34-16-6-8-25(29(34)32-26)23-12-10-22(5-2)11-13-23;1-4-20(2)29(35)32-27(23-13-17-37-18-14-23)30(36)34-15-8-11-25(34)24-19-33-16-12-21(3)26(28(33)31-24)22-9-6-5-7-10-22;1-4-21(3)29(35)32-27(23-12-15-37-16-13-23)30(36)34-14-8-11-26(34)25-19-33-18-20(2)17-24(28(33)31-25)22-9-6-5-7-10-22;1-4-20(2)29(35)32-27(23-14-17-37-18-15-23)30(36)33-16-8-11-26(33)25-19-34-21(3)12-13-24(28(34)31-25)22-9-6-5-7-10-22;1-3-19(2)28(35)32-26(21-11-14-37-15-12-21)29(36)34-13-7-10-25(34)24-18-33-17-22(30)16-23(27(33)31-24)20-8-5-4-6-9-20/h6,8,10-13,16,20-21,24,27-28H,4-5,7,9,14-15,17-19H2,1-3H3,(H,33,36);5-7,9-10,12,16,19-20,23,25,27H,4,8,11,13-15,17-18H2,1-3H3,(H,32,35);5-7,9-10,17-19,21,23,26-27H,4,8,11-16H2,1-3H3,(H,32,35);5-7,9-10,12-13,19-20,23,26-27H,4,8,11,14-18H2,1-3H3,(H,32,35);4-6,8-9,16-19,21,25-26H,3,7,10-15H2,1-2H3,(H,32,35)/t21-,27+,28+;20-,25+,27+;21-,26+,27+;20-,26+,27+;19-,25+,26+/m11111/s1.
What are the key properties of (2R)-N-[(1S)-2-[(2S)-2-[8-(4-ethylphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-(6-fluoro-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(5-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(7-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide?
(2R)-N-[(1S)-2-[(2S)-2-[8-(4-ethylphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-(6-fluoro-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(5-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(7-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide has a molecular weight of 2531.28 g/mol, XLogP of 24.74, 36 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-2-[(2S)-2-[8-(4-ethylphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-2-[(2S)-2-(6-fluoro-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(5-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide;(2R)-2-methyl-N-[(1S)-2-[(2S)-2-(7-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]butanamide is sourced from PubChem (CID 157171317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).