(3S)-8-[6-[(1R)-1-[4-bromo-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid;(3S)-8-[6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid;(3S)-8-[6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C106H118BrF9N18O13 — CID 160501618

IUPAC(3S)-8-[6-[(1R)-1-[4-bromo-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid;(3S)-8-[6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid;(3S)-8-[6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1ccn(-c2cc(Br)ccc2[C@@H](Oc2cc(N3CCC4(CC3)C[C@@H](C(=O)O)N(C(=O)OCc3ccccc3)C4)nc(C)n2)C(F)(F)F)n1.Cc1ccn(-c2cc(C3CCCCC3)ccc2[C@@H](Oc2cc(N3CCC4(CC3)CN[C@H](C(=O)O)C4)nc(C)n2)C(F)(F)F)n1.Cc1ccn(-c2cc(C3CCCCC3)ccc2[C@@H](Oc2cc(N3CCC4(CC3)C[C@@H](C(=O)O)N(C(=O)OCc3ccccc3)C4)nc(C)n2)C(F)(F)F)n1
InChIInChI=1S/C40H45F3N6O5.C34H34BrF3N6O5.C32H39F3N6O3/c1-26-15-18-49(46-26)32-21-30(29-11-7-4-8-12-29)13-14-31(32)36(40(41,42)43)54-35-22-34(44-27(2)45-35)47-19-16-39(17-20-47)23-33(37(50)51)48(25-39)38(52)53-24-28-9-5-3-6-10-28;1-21-10-13-44(41-21)26-16-24(35)8-9-25(26)30(34(36,37)38)49-29-17-28(39-22(2)40-29)42-14-11-33(12-15-42)18-27(31(45)46)43(20-33)32(47)48-19-23-6-4-3-5-7-23;1-20-10-13-41(39-20)26-16-23(22-6-4-3-5-7-22)8-9-24(26)29(32(33,34)35)44-28-17-27(37-21(2)38-28)40-14-11-31(12-15-40)18-25(30(42)43)36-19-31/h3,5-6,9-10,13-15,18,21-22,29,33,36H,4,7-8,11-12,16-17,19-20,23-25H2,1-2H3,(H,50,51);3-10,13,16-17,27,30H,11-12,14-15,18-20H2,1-2H3,(H,45,46);8-10,13,16-17,22,25,29,36H,3-7,11-12,14-15,18-19H2,1-2H3,(H,42,43)/t33-,36+;27-,30+;25-,29+/m000/s1
InChIKeyQRVXRSQGBSRMIE-UZAXLMTQSA-N
MW2103.11 g/mol
LogP20.94
Rot. Bonds24

About (3S)-8-[6-[(1R)-1-[4-bromo-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid;(3S)-8-[6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid;(3S)-8-[6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

(3S)-8-[6-[(1R)-1-[4-bromo-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid;(3S)-8-[6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid;(3S)-8-[6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 160501618) has the molecular formula C106H118BrF9N18O13 and a molecular weight of 2103.11 g/mol. Its IUPAC name is (3S)-8-[6-[(1R)-1-[4-bromo-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid;(3S)-8-[6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid;(3S)-8-[6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-8-[6-[(1R)-1-[4-bromo-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid;(3S)-8-[6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid;(3S)-8-[6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID160501618
Molecular FormulaC106H118BrF9N18O13
Molecular Weight2103.11 g/mol
Exact Mass2100.82
IUPAC Name(3S)-8-[6-[(1R)-1-[4-bromo-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid;(3S)-8-[6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid;(3S)-8-[6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1ccn(-c2cc(Br)ccc2[C@@H](Oc2cc(N3CCC4(CC3)C[C@@H](C(=O)O)N(C(=O)OCc3ccccc3)C4)nc(C)n2)C(F)(F)F)n1.Cc1ccn(-c2cc(C3CCCCC3)ccc2[C@@H](Oc2cc(N3CCC4(CC3)CN[C@H](C(=O)O)C4)nc(C)n2)C(F)(F)F)n1.Cc1ccn(-c2cc(C3CCCCC3)ccc2[C@@H](Oc2cc(N3CCC4(CC3)C[C@@H](C(=O)O)N(C(=O)OCc3ccccc3)C4)nc(C)n2)C(F)(F)F)n1
InChIInChI=1S/C40H45F3N6O5.C34H34BrF3N6O5.C32H39F3N6O3/c1-26-15-18-49(46-26)32-21-30(29-11-7-4-8-12-29)13-14-31(32)36(40(41,42)43)54-35-22-34(44-27(2)45-35)47-19-16-39(17-20-47)23-33(37(50)51)48(25-39)38(52)53-24-28-9-5-3-6-10-28;1-21-10-13-44(41-21)26-16-24(35)8-9-25(26)30(34(36,37)38)49-29-17-28(39-22(2)40-29)42-14-11-33(12-15-42)18-27(31(45)46)43(20-33)32(47)48-19-23-6-4-3-5-7-23;1-20-10-13-41(39-20)26-16-23(22-6-4-3-5-7-22)8-9-24(26)29(32(33,34)35)44-28-17-27(37-21(2)38-28)40-14-11-31(12-15-40)18-25(30(42)43)36-19-31/h3,5-6,9-10,13-15,18,21-22,29,33,36H,4,7-8,11-12,16-17,19-20,23-25H2,1-2H3,(H,50,51);3-10,13,16-17,27,30H,11-12,14-15,18-20H2,1-2H3,(H,45,46);8-10,13,16-17,22,25,29,36H,3-7,11-12,14-15,18-19H2,1-2H3,(H,42,43)/t33-,36+;27-,30+;25-,29+/m000/s1
InChIKeyQRVXRSQGBSRMIE-UZAXLMTQSA-N
XLogP20.94
TPSA351.22 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds24
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002103.11
LogP ≤ 520.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze (3S)-8-[6-[(1R)-1-[4-bromo-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid;(3S)-8-[6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid;(3S)-8-[6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid with MolForge

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Related Compounds

8-[2-amino-6-[(1R)-1-[4-bromo-2-(3-methylpyrazol-1-yl)phenyl]-1,2,2-trifluoroethoxy]pyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 117942172
(S)-2-benzyl 3-ethyl 8-(2-amino-6-((R)-1-(4-bromo-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-2,3-dicarboxylate
CID 117942191
2-O-benzyl 3-O-ethyl 8-[2-amino-6-[(1R)-1-[4-bromo-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-2,3-dicarboxylate
CID 117942193
(3S)-8-[6-[(1R)-1-[4-bromo-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 117942194
8-[6-[1-[4-Bromo-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 117942198
8-[6-[(1R)-1-[4-bromo-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 117942201
(3S)-8-[6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 117947793
(3S)-8-[6-[(1R)-1-[4-(1-acetylpiperidin-4-yl)-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-aminopyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 117951756
8-[6-[(1R)-1-[4-(1-acetylpiperidin-4-yl)-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-aminopyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 117951757
(S)-8-(6-((R)-1-(4-Bromo-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)-2-methylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 117951828
8-[6-[(1R)-1-[4-bromo-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 117951830
(2S)-8-[2-amino-6-[(1R)-1-[4-bromo-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoro-ethoxy]pyrimidin-4-yl]-3-benzyloxycarbonyl-3,8-diazaspiro[4.5]decane-2-carboxylic acid
CID 117951868

Frequently Asked Questions

What is the IUPAC name of (3S)-8-[6-[(1R)-1-[4-bromo-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid;(3S)-8-[6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid;(3S)-8-[6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of (3S)-8-[6-[(1R)-1-[4-bromo-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid;(3S)-8-[6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid;(3S)-8-[6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 160501618) is (3S)-8-[6-[(1R)-1-[4-bromo-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid;(3S)-8-[6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid;(3S)-8-[6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for (3S)-8-[6-[(1R)-1-[4-bromo-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid;(3S)-8-[6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid;(3S)-8-[6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for (3S)-8-[6-[(1R)-1-[4-bromo-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid;(3S)-8-[6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid;(3S)-8-[6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is Cc1ccn(-c2cc(Br)ccc2[C@@H](Oc2cc(N3CCC4(CC3)C[C@@H](C(=O)O)N(C(=O)OCc3ccccc3)C4)nc(C)n2)C(F)(F)F)n1.Cc1ccn(-c2cc(C3CCCCC3)ccc2[C@@H](Oc2cc(N3CCC4(CC3)CN[C@H](C(=O)O)C4)nc(C)n2)C(F)(F)F)n1.Cc1ccn(-c2cc(C3CCCCC3)ccc2[C@@H](Oc2cc(N3CCC4(CC3)C[C@@H](C(=O)O)N(C(=O)OCc3ccccc3)C4)nc(C)n2)C(F)(F)F)n1.
What is the InChIKey of (3S)-8-[6-[(1R)-1-[4-bromo-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid;(3S)-8-[6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid;(3S)-8-[6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is QRVXRSQGBSRMIE-UZAXLMTQSA-N. The full InChI is InChI=1S/C40H45F3N6O5.C34H34BrF3N6O5.C32H39F3N6O3/c1-26-15-18-49(46-26)32-21-30(29-11-7-4-8-12-29)13-14-31(32)36(40(41,42)43)54-35-22-34(44-27(2)45-35)47-19-16-39(17-20-47)23-33(37(50)51)48(25-39)38(52)53-24-28-9-5-3-6-10-28;1-21-10-13-44(41-21)26-16-24(35)8-9-25(26)30(34(36,37)38)49-29-17-28(39-22(2)40-29)42-14-11-33(12-15-42)18-27(31(45)46)43(20-33)32(47)48-19-23-6-4-3-5-7-23;1-20-10-13-41(39-20)26-16-23(22-6-4-3-5-7-22)8-9-24(26)29(32(33,34)35)44-28-17-27(37-21(2)38-28)40-14-11-31(12-15-40)18-25(30(42)43)36-19-31/h3,5-6,9-10,13-15,18,21-22,29,33,36H,4,7-8,11-12,16-17,19-20,23-25H2,1-2H3,(H,50,51);3-10,13,16-17,27,30H,11-12,14-15,18-20H2,1-2H3,(H,45,46);8-10,13,16-17,22,25,29,36H,3-7,11-12,14-15,18-19H2,1-2H3,(H,42,43)/t33-,36+;27-,30+;25-,29+/m000/s1.
What are the key properties of (3S)-8-[6-[(1R)-1-[4-bromo-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid;(3S)-8-[6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid;(3S)-8-[6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
(3S)-8-[6-[(1R)-1-[4-bromo-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid;(3S)-8-[6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid;(3S)-8-[6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 2103.11 g/mol, XLogP of 20.94, 24 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-[6-[(1R)-1-[4-bromo-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid;(3S)-8-[6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid;(3S)-8-[6-[(1R)-1-[4-cyclohexyl-2-(3-methylpyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-2-methylpyrimidin-4-yl]-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 160501618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).