tert-butyl (2R,5S)-4-[1-[4-(3,3-difluoro-4-hydroxybutyl)-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethyl-4-(10,10,17,20-tetrafluoro-25-oxo-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-23-yl)piperazine-1-carboxylate;23-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-10,10,17,20-tetrafluoro-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-25-one

C104H115F12N17O11 — CID 157057794

IUPACtert-butyl (2R,5S)-4-[1-[4-(3,3-difluoro-4-hydroxybutyl)-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethyl-4-(10,10,17,20-tetrafluoro-25-oxo-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-23-yl)piperazine-1-carboxylate;23-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-10,10,17,20-tetrafluoro-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-25-one
SMILESCC(C)c1nccc(CCC(F)(F)CO)c1-n1c(=O)nc(N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c2cc(F)c(-c3c(O)cccc3F)nc21.CC(C)c1nccc2c1-n1c(=O)nc(N3C[C@@H](C)CC[C@@H]3C)c3cc(F)c(nc31)-c1c(F)cccc1OCC(F)(F)CC2.CC(C)c1nccc2c1-n1c(=O)nc(N3C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]3C)c3cc(F)c(nc31)-c1c(F)cccc1OCC(F)(F)CC2
InChIInChI=1S/C36H42F4N6O5.C36H40F4N6O4.C32H33F4N5O2/c1-19(2)28-30(22(12-14-41-28)11-13-36(39,40)18-47)46-32-23(15-25(38)29(42-32)27-24(37)9-8-10-26(27)48)31(43-33(46)49)44-16-21(4)45(17-20(44)3)34(50)51-35(5,6)7;1-19(2)28-30-22(12-14-41-28)11-13-36(39,40)18-49-26-10-8-9-24(37)27(26)29-25(38)15-23-31(43-33(47)46(30)32(23)42-29)44-16-21(4)45(17-20(44)3)34(48)50-35(5,6)7;1-17(2)26-28-20(11-13-37-26)10-12-32(35,36)16-43-24-7-5-6-22(33)25(24)27-23(34)14-21-29(39-31(42)41(28)30(21)38-27)40-15-18(3)8-9-19(40)4/h8-10,12,14-15,19-21,47-48H,11,13,16-18H2,1-7H3;8-10,12,14-15,19-21H,11,13,16-18H2,1-7H3;5-7,11,13-14,17-19H,8-10,12,15-16H2,1-4H3/t2*20-,21+;18-,19-/m000/s1
InChIKeyAAYSVFYREGBQIL-NXMVAGEMSA-N
MW2007.15 g/mol
LogP20.21
Rot. Bonds12

About tert-butyl (2R,5S)-4-[1-[4-(3,3-difluoro-4-hydroxybutyl)-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethyl-4-(10,10,17,20-tetrafluoro-25-oxo-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-23-yl)piperazine-1-carboxylate;23-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-10,10,17,20-tetrafluoro-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-25-one

tert-butyl (2R,5S)-4-[1-[4-(3,3-difluoro-4-hydroxybutyl)-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethyl-4-(10,10,17,20-tetrafluoro-25-oxo-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-23-yl)piperazine-1-carboxylate;23-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-10,10,17,20-tetrafluoro-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-25-one (PubChem CID 157057794) has the molecular formula C104H115F12N17O11 and a molecular weight of 2007.15 g/mol. Its IUPAC name is tert-butyl (2R,5S)-4-[1-[4-(3,3-difluoro-4-hydroxybutyl)-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethyl-4-(10,10,17,20-tetrafluoro-25-oxo-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-23-yl)piperazine-1-carboxylate;23-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-10,10,17,20-tetrafluoro-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-25-one.

Molecular Properties

Compound Nametert-butyl (2R,5S)-4-[1-[4-(3,3-difluoro-4-hydroxybutyl)-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethyl-4-(10,10,17,20-tetrafluoro-25-oxo-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-23-yl)piperazine-1-carboxylate;23-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-10,10,17,20-tetrafluoro-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-25-one
PubChem CID157057794
Molecular FormulaC104H115F12N17O11
Molecular Weight2007.15 g/mol
Exact Mass2005.88
IUPAC Nametert-butyl (2R,5S)-4-[1-[4-(3,3-difluoro-4-hydroxybutyl)-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethyl-4-(10,10,17,20-tetrafluoro-25-oxo-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-23-yl)piperazine-1-carboxylate;23-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-10,10,17,20-tetrafluoro-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-25-one
SMILESCC(C)c1nccc(CCC(F)(F)CO)c1-n1c(=O)nc(N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c2cc(F)c(-c3c(O)cccc3F)nc21.CC(C)c1nccc2c1-n1c(=O)nc(N3C[C@@H](C)CC[C@@H]3C)c3cc(F)c(nc31)-c1c(F)cccc1OCC(F)(F)CC2.CC(C)c1nccc2c1-n1c(=O)nc(N3C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]3C)c3cc(F)c(nc31)-c1c(F)cccc1OCC(F)(F)CC2
InChIInChI=1S/C36H42F4N6O5.C36H40F4N6O4.C32H33F4N5O2/c1-19(2)28-30(22(12-14-41-28)11-13-36(39,40)18-47)46-32-23(15-25(38)29(42-32)27-24(37)9-8-10-26(27)48)31(43-33(46)49)44-16-21(4)45(17-20(44)3)34(50)51-35(5,6)7;1-19(2)28-30-22(12-14-41-28)11-13-36(39,40)18-49-26-10-8-9-24(37)27(26)29-25(38)15-23-31(43-33(47)46(30)32(23)42-29)44-16-21(4)45(17-20(44)3)34(48)50-35(5,6)7;1-17(2)26-28-20(11-13-37-26)10-12-32(35,36)16-43-24-7-5-6-22(33)25(24)27-23(34)14-21-29(39-31(42)41(28)30(21)38-27)40-15-18(3)8-9-19(40)4/h8-10,12,14-15,19-21,47-48H,11,13,16-18H2,1-7H3;8-10,12,14-15,19-21H,11,13,16-18H2,1-7H3;5-7,11,13-14,17-19H,8-10,12,15-16H2,1-4H3/t2*20-,21+;18-,19-/m000/s1
InChIKeyAAYSVFYREGBQIL-NXMVAGEMSA-N
XLogP20.21
TPSA309.73 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds12
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002007.15
LogP ≤ 520.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Analyze tert-butyl (2R,5S)-4-[1-[4-(3,3-difluoro-4-hydroxybutyl)-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethyl-4-(10,10,17,20-tetrafluoro-25-oxo-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-23-yl)piperazine-1-carboxylate;23-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-10,10,17,20-tetrafluoro-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-25-one with MolForge

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Launch Full Analysis

Related Compounds

22-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-16,19-difluoro-3-propan-2-yl-11-oxa-1,4,23,26-tetrazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,12(17),13,15,18,20,22,25-decaen-24-one
CID 156295426
22-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-15,16,19-trifluoro-8-methyl-3-propan-2-yl-11-oxa-1,4,23,26-tetrazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,12(17),13,15,18,20,22,25-decaen-24-one
CID 156295438
16,19-difluoro-22-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-11-oxa-1,4,23,26-tetrazapentacyclo[16.6.2.02,7.012,17.021,25]hexacosa-2(7),3,5,12(17),13,15,18,20,22,25-decaen-24-one
CID 156295525
23-[(2S,5R)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-17,20-difluoro-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-25-one
CID 156295550
17,20-difluoro-23-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-25-one
CID 156295601
4-[(S)-4-Boc-2-methyl-1-piperazinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-isopropyl-4-methyl-3-pyridyl)pyrido[2,3-d]pyrimidin-2(1H)-one
CID 137278743
US20240043448, Example 104
CID 156295422
US20240043448, Example 95
CID 156295425
US20240043448, Example 98
CID 156295431
US20240043448, Example 99
CID 156295437
US20240043448, Example 120
CID 156295439
US20240043448, Example 7
CID 156295442

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,5S)-4-[1-[4-(3,3-difluoro-4-hydroxybutyl)-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethyl-4-(10,10,17,20-tetrafluoro-25-oxo-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-23-yl)piperazine-1-carboxylate;23-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-10,10,17,20-tetrafluoro-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-25-one?
The IUPAC name of tert-butyl (2R,5S)-4-[1-[4-(3,3-difluoro-4-hydroxybutyl)-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethyl-4-(10,10,17,20-tetrafluoro-25-oxo-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-23-yl)piperazine-1-carboxylate;23-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-10,10,17,20-tetrafluoro-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-25-one (CID 157057794) is tert-butyl (2R,5S)-4-[1-[4-(3,3-difluoro-4-hydroxybutyl)-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethyl-4-(10,10,17,20-tetrafluoro-25-oxo-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-23-yl)piperazine-1-carboxylate;23-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-10,10,17,20-tetrafluoro-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-25-one.
What is the SMILES notation for tert-butyl (2R,5S)-4-[1-[4-(3,3-difluoro-4-hydroxybutyl)-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethyl-4-(10,10,17,20-tetrafluoro-25-oxo-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-23-yl)piperazine-1-carboxylate;23-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-10,10,17,20-tetrafluoro-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-25-one?
The canonical SMILES for tert-butyl (2R,5S)-4-[1-[4-(3,3-difluoro-4-hydroxybutyl)-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethyl-4-(10,10,17,20-tetrafluoro-25-oxo-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-23-yl)piperazine-1-carboxylate;23-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-10,10,17,20-tetrafluoro-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-25-one is CC(C)c1nccc(CCC(F)(F)CO)c1-n1c(=O)nc(N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]2C)c2cc(F)c(-c3c(O)cccc3F)nc21.CC(C)c1nccc2c1-n1c(=O)nc(N3C[C@@H](C)CC[C@@H]3C)c3cc(F)c(nc31)-c1c(F)cccc1OCC(F)(F)CC2.CC(C)c1nccc2c1-n1c(=O)nc(N3C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]3C)c3cc(F)c(nc31)-c1c(F)cccc1OCC(F)(F)CC2.
What is the InChIKey of tert-butyl (2R,5S)-4-[1-[4-(3,3-difluoro-4-hydroxybutyl)-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethyl-4-(10,10,17,20-tetrafluoro-25-oxo-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-23-yl)piperazine-1-carboxylate;23-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-10,10,17,20-tetrafluoro-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-25-one?
The InChIKey is AAYSVFYREGBQIL-NXMVAGEMSA-N. The full InChI is InChI=1S/C36H42F4N6O5.C36H40F4N6O4.C32H33F4N5O2/c1-19(2)28-30(22(12-14-41-28)11-13-36(39,40)18-47)46-32-23(15-25(38)29(42-32)27-24(37)9-8-10-26(27)48)31(43-33(46)49)44-16-21(4)45(17-20(44)3)34(50)51-35(5,6)7;1-19(2)28-30-22(12-14-41-28)11-13-36(39,40)18-49-26-10-8-9-24(37)27(26)29-25(38)15-23-31(43-33(47)46(30)32(23)42-29)44-16-21(4)45(17-20(44)3)34(48)50-35(5,6)7;1-17(2)26-28-20(11-13-37-26)10-12-32(35,36)16-43-24-7-5-6-22(33)25(24)27-23(34)14-21-29(39-31(42)41(28)30(21)38-27)40-15-18(3)8-9-19(40)4/h8-10,12,14-15,19-21,47-48H,11,13,16-18H2,1-7H3;8-10,12,14-15,19-21H,11,13,16-18H2,1-7H3;5-7,11,13-14,17-19H,8-10,12,15-16H2,1-4H3/t2*20-,21+;18-,19-/m000/s1.
What are the key properties of tert-butyl (2R,5S)-4-[1-[4-(3,3-difluoro-4-hydroxybutyl)-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethyl-4-(10,10,17,20-tetrafluoro-25-oxo-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-23-yl)piperazine-1-carboxylate;23-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-10,10,17,20-tetrafluoro-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-25-one?
tert-butyl (2R,5S)-4-[1-[4-(3,3-difluoro-4-hydroxybutyl)-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethyl-4-(10,10,17,20-tetrafluoro-25-oxo-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-23-yl)piperazine-1-carboxylate;23-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-10,10,17,20-tetrafluoro-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-25-one has a molecular weight of 2007.15 g/mol, XLogP of 20.21, 12 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,5S)-4-[1-[4-(3,3-difluoro-4-hydroxybutyl)-2-propan-2-yl-3-pyridinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-2,5-dimethyl-4-(10,10,17,20-tetrafluoro-25-oxo-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-23-yl)piperazine-1-carboxylate;23-[(2S,5S)-2,5-dimethylpiperidin-1-yl]-10,10,17,20-tetrafluoro-3-propan-2-yl-12-oxa-1,4,24,27-tetrazapentacyclo[17.6.2.02,7.013,18.022,26]heptacosa-2(7),3,5,13(18),14,16,19,21,23,26-decaen-25-one is sourced from PubChem (CID 157057794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).