3-cyclopropyl-2-[(3S,4S)-3-[[4-(2-ethylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-[[4-(2-ethylindazol-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)methyl]cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]piperidin-1-yl]methyl]cyclopentyl]propanoic acid

C155H194F8N14O12S — CID 160844384

IUPAC3-cyclopropyl-2-[(3S,4S)-3-[[4-(2-ethylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-[[4-(2-ethylindazol-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)methyl]cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]piperidin-1-yl]methyl]cyclopentyl]propanoic acid
SMILESCCc1nc2ccccn2c1C1CCN(C[C@H]2CC(C(CC3CC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1.CCn1nc2ccccc2c1C1CCN(C[C@H]2CC(C(CC3CC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1.O=C(O)C(CC1CC1)C1C[C@H](CN2CCC(CCS(=O)(=O)c3ccc(C(F)(F)F)cn3)CC2)[C@@H](c2cccc(F)c2)C1.O=C(O)C(CC1CC1)C1C[C@H](CN2CCC(c3cnc4ccccn34)CC2)[C@@H](c2cccc(F)c2)C1.O=C(O)C(CC1CC1)C1C[C@H](CN2CCC(c3cnc4n3CCCC4)CC2)[C@@H](c2cccc(F)c2)C1
InChIInChI=1S/2C32H40FN3O2.C31H38F4N2O4S.C30H40FN3O2.C30H36FN3O2/c1-2-29-31(36-13-4-3-8-30(36)34-29)22-11-14-35(15-12-22)20-25-17-24(28(32(37)38)16-21-9-10-21)19-27(25)23-6-5-7-26(33)18-23;1-2-36-31(27-8-3-4-9-30(27)34-36)22-12-14-35(15-13-22)20-25-17-24(29(32(37)38)16-21-10-11-21)19-28(25)23-6-5-7-26(33)18-23;32-26-3-1-2-22(16-26)27-17-23(28(30(38)39)14-21-4-5-21)15-24(27)19-37-11-8-20(9-12-37)10-13-42(40,41)29-7-6-25(18-36-29)31(33,34)35;2*31-25-5-3-4-22(16-25)26-17-23(27(30(35)36)14-20-7-8-20)15-24(26)19-33-12-9-21(10-13-33)28-18-32-29-6-1-2-11-34(28)29/h3-8,13,18,21-22,24-25,27-28H,2,9-12,14-17,19-20H2,1H3,(H,37,38);3-9,18,21-22,24-25,28-29H,2,10-17,19-20H2,1H3,(H,37,38);1-3,6-7,16,18,20-21,23-24,27-28H,4-5,8-15,17,19H2,(H,38,39);3-5,16,18,20-21,23-24,26-27H,1-2,6-15,17,19H2,(H,35,36);1-6,11,16,18,20-21,23-24,26-27H,7-10,12-15,17,19H2,(H,35,36)/t24?,25-,27-,28?;24?,25-,28-,29?;23?,24-,27-,28?;2*23?,24-,26-,27?/m11111/s1
InChIKeySILJGVRZBSNMOC-YVOFILLMSA-N
MW2629.39 g/mol
LogP31.45
Rot. Bonds45

About 3-cyclopropyl-2-[(3S,4S)-3-[[4-(2-ethylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-[[4-(2-ethylindazol-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)methyl]cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]piperidin-1-yl]methyl]cyclopentyl]propanoic acid

3-cyclopropyl-2-[(3S,4S)-3-[[4-(2-ethylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-[[4-(2-ethylindazol-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)methyl]cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]piperidin-1-yl]methyl]cyclopentyl]propanoic acid (PubChem CID 160844384) has the molecular formula C155H194F8N14O12S and a molecular weight of 2629.39 g/mol. Its IUPAC name is 3-cyclopropyl-2-[(3S,4S)-3-[[4-(2-ethylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-[[4-(2-ethylindazol-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)methyl]cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]piperidin-1-yl]methyl]cyclopentyl]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-[(3S,4S)-3-[[4-(2-ethylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-[[4-(2-ethylindazol-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)methyl]cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]piperidin-1-yl]methyl]cyclopentyl]propanoic acid
PubChem CID160844384
Molecular FormulaC155H194F8N14O12S
Molecular Weight2629.39 g/mol
Exact Mass2627.46
IUPAC Name3-cyclopropyl-2-[(3S,4S)-3-[[4-(2-ethylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-[[4-(2-ethylindazol-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)methyl]cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]piperidin-1-yl]methyl]cyclopentyl]propanoic acid
SMILESCCc1nc2ccccn2c1C1CCN(C[C@H]2CC(C(CC3CC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1.CCn1nc2ccccc2c1C1CCN(C[C@H]2CC(C(CC3CC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1.O=C(O)C(CC1CC1)C1C[C@H](CN2CCC(CCS(=O)(=O)c3ccc(C(F)(F)F)cn3)CC2)[C@@H](c2cccc(F)c2)C1.O=C(O)C(CC1CC1)C1C[C@H](CN2CCC(c3cnc4ccccn34)CC2)[C@@H](c2cccc(F)c2)C1.O=C(O)C(CC1CC1)C1C[C@H](CN2CCC(c3cnc4n3CCCC4)CC2)[C@@H](c2cccc(F)c2)C1
InChIInChI=1S/2C32H40FN3O2.C31H38F4N2O4S.C30H40FN3O2.C30H36FN3O2/c1-2-29-31(36-13-4-3-8-30(36)34-29)22-11-14-35(15-12-22)20-25-17-24(28(32(37)38)16-21-9-10-21)19-27(25)23-6-5-7-26(33)18-23;1-2-36-31(27-8-3-4-9-30(27)34-36)22-12-14-35(15-13-22)20-25-17-24(29(32(37)38)16-21-10-11-21)19-28(25)23-6-5-7-26(33)18-23;32-26-3-1-2-22(16-26)27-17-23(28(30(38)39)14-21-4-5-21)15-24(27)19-37-11-8-20(9-12-37)10-13-42(40,41)29-7-6-25(18-36-29)31(33,34)35;2*31-25-5-3-4-22(16-25)26-17-23(27(30(35)36)14-20-7-8-20)15-24(26)19-33-12-9-21(10-13-33)28-18-32-29-6-1-2-11-34(28)29/h3-8,13,18,21-22,24-25,27-28H,2,9-12,14-17,19-20H2,1H3,(H,37,38);3-9,18,21-22,24-25,28-29H,2,10-17,19-20H2,1H3,(H,37,38);1-3,6-7,16,18,20-21,23-24,27-28H,4-5,8-15,17,19H2,(H,38,39);3-5,16,18,20-21,23-24,26-27H,1-2,6-15,17,19H2,(H,35,36);1-6,11,16,18,20-21,23-24,26-27H,7-10,12-15,17,19H2,(H,35,36)/t24?,25-,27-,28?;24?,25-,28-,29?;23?,24-,27-,28?;2*23?,24-,26-,27?/m11111/s1
InChIKeySILJGVRZBSNMOC-YVOFILLMSA-N
XLogP31.45
TPSA319.97 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds45
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002629.39
LogP ≤ 531.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze 3-cyclopropyl-2-[(3S,4S)-3-[[4-(2-ethylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-[[4-(2-ethylindazol-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)methyl]cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]piperidin-1-yl]methyl]cyclopentyl]propanoic acid with MolForge

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Related Compounds

4-[8-amino-1-(7-cyclopropyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(4-fluorophenyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methylsulfonyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid
CID 162135120
CID 158829794
CID 158829794

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[(3S,4S)-3-[[4-(2-ethylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-[[4-(2-ethylindazol-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)methyl]cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]piperidin-1-yl]methyl]cyclopentyl]propanoic acid?
The IUPAC name of 3-cyclopropyl-2-[(3S,4S)-3-[[4-(2-ethylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-[[4-(2-ethylindazol-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)methyl]cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]piperidin-1-yl]methyl]cyclopentyl]propanoic acid (CID 160844384) is 3-cyclopropyl-2-[(3S,4S)-3-[[4-(2-ethylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-[[4-(2-ethylindazol-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)methyl]cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]piperidin-1-yl]methyl]cyclopentyl]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-2-[(3S,4S)-3-[[4-(2-ethylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-[[4-(2-ethylindazol-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)methyl]cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]piperidin-1-yl]methyl]cyclopentyl]propanoic acid?
The canonical SMILES for 3-cyclopropyl-2-[(3S,4S)-3-[[4-(2-ethylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-[[4-(2-ethylindazol-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)methyl]cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]piperidin-1-yl]methyl]cyclopentyl]propanoic acid is CCc1nc2ccccn2c1C1CCN(C[C@H]2CC(C(CC3CC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1.CCn1nc2ccccc2c1C1CCN(C[C@H]2CC(C(CC3CC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1.O=C(O)C(CC1CC1)C1C[C@H](CN2CCC(CCS(=O)(=O)c3ccc(C(F)(F)F)cn3)CC2)[C@@H](c2cccc(F)c2)C1.O=C(O)C(CC1CC1)C1C[C@H](CN2CCC(c3cnc4ccccn34)CC2)[C@@H](c2cccc(F)c2)C1.O=C(O)C(CC1CC1)C1C[C@H](CN2CCC(c3cnc4n3CCCC4)CC2)[C@@H](c2cccc(F)c2)C1.
What is the InChIKey of 3-cyclopropyl-2-[(3S,4S)-3-[[4-(2-ethylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-[[4-(2-ethylindazol-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)methyl]cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]piperidin-1-yl]methyl]cyclopentyl]propanoic acid?
The InChIKey is SILJGVRZBSNMOC-YVOFILLMSA-N. The full InChI is InChI=1S/2C32H40FN3O2.C31H38F4N2O4S.C30H40FN3O2.C30H36FN3O2/c1-2-29-31(36-13-4-3-8-30(36)34-29)22-11-14-35(15-12-22)20-25-17-24(28(32(37)38)16-21-9-10-21)19-27(25)23-6-5-7-26(33)18-23;1-2-36-31(27-8-3-4-9-30(27)34-36)22-12-14-35(15-13-22)20-25-17-24(29(32(37)38)16-21-10-11-21)19-28(25)23-6-5-7-26(33)18-23;32-26-3-1-2-22(16-26)27-17-23(28(30(38)39)14-21-4-5-21)15-24(27)19-37-11-8-20(9-12-37)10-13-42(40,41)29-7-6-25(18-36-29)31(33,34)35;2*31-25-5-3-4-22(16-25)26-17-23(27(30(35)36)14-20-7-8-20)15-24(26)19-33-12-9-21(10-13-33)28-18-32-29-6-1-2-11-34(28)29/h3-8,13,18,21-22,24-25,27-28H,2,9-12,14-17,19-20H2,1H3,(H,37,38);3-9,18,21-22,24-25,28-29H,2,10-17,19-20H2,1H3,(H,37,38);1-3,6-7,16,18,20-21,23-24,27-28H,4-5,8-15,17,19H2,(H,38,39);3-5,16,18,20-21,23-24,26-27H,1-2,6-15,17,19H2,(H,35,36);1-6,11,16,18,20-21,23-24,26-27H,7-10,12-15,17,19H2,(H,35,36)/t24?,25-,27-,28?;24?,25-,28-,29?;23?,24-,27-,28?;2*23?,24-,26-,27?/m11111/s1.
What are the key properties of 3-cyclopropyl-2-[(3S,4S)-3-[[4-(2-ethylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-[[4-(2-ethylindazol-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)methyl]cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]piperidin-1-yl]methyl]cyclopentyl]propanoic acid?
3-cyclopropyl-2-[(3S,4S)-3-[[4-(2-ethylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-[[4-(2-ethylindazol-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)methyl]cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]piperidin-1-yl]methyl]cyclopentyl]propanoic acid has a molecular weight of 2629.39 g/mol, XLogP of 31.45, 45 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[(3S,4S)-3-[[4-(2-ethylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-[[4-(2-ethylindazol-3-yl)piperidin-1-yl]methyl]-4-(3-fluorophenyl)cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)methyl]cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]methyl]cyclopentyl]propanoic acid;3-cyclopropyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl]piperidin-1-yl]methyl]cyclopentyl]propanoic acid is sourced from PubChem (CID 160844384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).