6-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxylic acid;6-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]methyl]-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide;(5R,7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-2-azaspiro[4.5]decan-3-one;(5S,7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-2-azaspiro[4.5]decan-3-one;(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one

C106H106Cl2F8N24O7 — CID 158344535

IUPAC6-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxylic acid;6-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]methyl]-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide;(5R,7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-2-azaspiro[4.5]decan-3-one;(5S,7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-2-azaspiro[4.5]decan-3-one;(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCC1N(C)C(=O)O[C@]12CCC[C@H](Cc1nc(-c3c[nH]c4ncc(F)cc34)ncc1F)C2.CN(C)C(=O)C1CC2CC(Cc3nc(-c4c[nH]c5ncc(Cl)cc45)ncc3F)C1C2.O=C(O)C1CC2CC(Cc3nc(-c4c[nH]c5ncc(Cl)cc45)ncc3F)C1C2.O=C1C[C@@]2(CCC[C@H](Cc3nc(-c4c[nH]c5ncc(F)cc45)ncc3F)C2)CN1.O=C1C[C@]2(CCC[C@H](Cc3nc(-c4c[nH]c5ncc(F)cc45)ncc3F)C2)CN1
InChIInChI=1S/C22H23ClFN5O.C22H23F2N5O2.2C21H21F2N5O.C20H18ClFN4O2/c1-29(2)22(30)16-5-11-3-12(14(16)4-11)6-19-18(24)10-27-21(28-19)17-9-26-20-15(17)7-13(23)8-25-20;1-12-22(31-21(30)29(12)2)5-3-4-13(8-22)6-18-17(24)11-27-20(28-18)16-10-26-19-15(16)7-14(23)9-25-19;2*22-13-5-14-15(9-25-19(14)24-8-13)20-26-10-16(23)17(28-20)4-12-2-1-3-21(6-12)7-18(29)27-11-21;21-11-5-13-15(7-24-18(13)23-6-11)19-25-8-16(22)17(26-19)4-10-1-9-2-12(10)14(3-9)20(27)28/h7-12,14,16H,3-6H2,1-2H3,(H,25,26);7,9-13H,3-6,8H2,1-2H3,(H,25,26);2*5,8-10,12H,1-4,6-7,11H2,(H,24,25)(H,27,29);5-10,12,14H,1-4H2,(H,23,24)(H,27,28)/t;12?,13-,22+;12-,21+;12-,21-;/m.111./s1
InChIKeyGROLIYZLHTXABN-MXAGYWGMSA-N
MW2051.06 g/mol
LogP19.52
Rot. Bonds17

About 6-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxylic acid;6-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]methyl]-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide;(5R,7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-2-azaspiro[4.5]decan-3-one;(5S,7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-2-azaspiro[4.5]decan-3-one;(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one

6-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxylic acid;6-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]methyl]-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide;(5R,7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-2-azaspiro[4.5]decan-3-one;(5S,7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-2-azaspiro[4.5]decan-3-one;(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 158344535) has the molecular formula C106H106Cl2F8N24O7 and a molecular weight of 2051.06 g/mol. Its IUPAC name is 6-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxylic acid;6-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]methyl]-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide;(5R,7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-2-azaspiro[4.5]decan-3-one;(5S,7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-2-azaspiro[4.5]decan-3-one;(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name6-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxylic acid;6-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]methyl]-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide;(5R,7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-2-azaspiro[4.5]decan-3-one;(5S,7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-2-azaspiro[4.5]decan-3-one;(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID158344535
Molecular FormulaC106H106Cl2F8N24O7
Molecular Weight2051.06 g/mol
Exact Mass2048.79
IUPAC Name6-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxylic acid;6-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]methyl]-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide;(5R,7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-2-azaspiro[4.5]decan-3-one;(5S,7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-2-azaspiro[4.5]decan-3-one;(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCC1N(C)C(=O)O[C@]12CCC[C@H](Cc1nc(-c3c[nH]c4ncc(F)cc34)ncc1F)C2.CN(C)C(=O)C1CC2CC(Cc3nc(-c4c[nH]c5ncc(Cl)cc45)ncc3F)C1C2.O=C(O)C1CC2CC(Cc3nc(-c4c[nH]c5ncc(Cl)cc45)ncc3F)C1C2.O=C1C[C@@]2(CCC[C@H](Cc3nc(-c4c[nH]c5ncc(F)cc45)ncc3F)C2)CN1.O=C1C[C@]2(CCC[C@H](Cc3nc(-c4c[nH]c5ncc(F)cc45)ncc3F)C2)CN1
InChIInChI=1S/C22H23ClFN5O.C22H23F2N5O2.2C21H21F2N5O.C20H18ClFN4O2/c1-29(2)22(30)16-5-11-3-12(14(16)4-11)6-19-18(24)10-27-21(28-19)17-9-26-20-15(17)7-13(23)8-25-20;1-12-22(31-21(30)29(12)2)5-3-4-13(8-22)6-18-17(24)11-27-20(28-18)16-10-26-19-15(16)7-14(23)9-25-19;2*22-13-5-14-15(9-25-19(14)24-8-13)20-26-10-16(23)17(28-20)4-12-2-1-3-21(6-12)7-18(29)27-11-21;21-11-5-13-15(7-24-18(13)23-6-11)19-25-8-16(22)17(26-19)4-10-1-9-2-12(10)14(3-9)20(27)28/h7-12,14,16H,3-6H2,1-2H3,(H,25,26);7,9-13H,3-6,8H2,1-2H3,(H,25,26);2*5,8-10,12H,1-4,6-7,11H2,(H,24,25)(H,27,29);5-10,12,14H,1-4H2,(H,23,24)(H,27,28)/t;12?,13-,22+;12-,21+;12-,21-;/m.111./s1
InChIKeyGROLIYZLHTXABN-MXAGYWGMSA-N
XLogP19.52
TPSA417.65 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002051.06
LogP ≤ 519.52
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Analyze 6-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxylic acid;6-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]methyl]-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide;(5R,7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-2-azaspiro[4.5]decan-3-one;(5S,7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-2-azaspiro[4.5]decan-3-one;(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxylic acid;6-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]methyl]-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide;(5R,7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-2-azaspiro[4.5]decan-3-one;(5S,7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-2-azaspiro[4.5]decan-3-one;(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 6-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxylic acid;6-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]methyl]-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide;(5R,7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-2-azaspiro[4.5]decan-3-one;(5S,7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-2-azaspiro[4.5]decan-3-one;(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one (CID 158344535) is 6-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxylic acid;6-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]methyl]-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide;(5R,7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-2-azaspiro[4.5]decan-3-one;(5S,7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-2-azaspiro[4.5]decan-3-one;(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 6-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxylic acid;6-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]methyl]-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide;(5R,7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-2-azaspiro[4.5]decan-3-one;(5S,7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-2-azaspiro[4.5]decan-3-one;(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 6-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxylic acid;6-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]methyl]-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide;(5R,7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-2-azaspiro[4.5]decan-3-one;(5S,7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-2-azaspiro[4.5]decan-3-one;(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one is CC1N(C)C(=O)O[C@]12CCC[C@H](Cc1nc(-c3c[nH]c4ncc(F)cc34)ncc1F)C2.CN(C)C(=O)C1CC2CC(Cc3nc(-c4c[nH]c5ncc(Cl)cc45)ncc3F)C1C2.O=C(O)C1CC2CC(Cc3nc(-c4c[nH]c5ncc(Cl)cc45)ncc3F)C1C2.O=C1C[C@@]2(CCC[C@H](Cc3nc(-c4c[nH]c5ncc(F)cc45)ncc3F)C2)CN1.O=C1C[C@]2(CCC[C@H](Cc3nc(-c4c[nH]c5ncc(F)cc45)ncc3F)C2)CN1.
What is the InChIKey of 6-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxylic acid;6-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]methyl]-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide;(5R,7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-2-azaspiro[4.5]decan-3-one;(5S,7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-2-azaspiro[4.5]decan-3-one;(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is GROLIYZLHTXABN-MXAGYWGMSA-N. The full InChI is InChI=1S/C22H23ClFN5O.C22H23F2N5O2.2C21H21F2N5O.C20H18ClFN4O2/c1-29(2)22(30)16-5-11-3-12(14(16)4-11)6-19-18(24)10-27-21(28-19)17-9-26-20-15(17)7-13(23)8-25-20;1-12-22(31-21(30)29(12)2)5-3-4-13(8-22)6-18-17(24)11-27-20(28-18)16-10-26-19-15(16)7-14(23)9-25-19;2*22-13-5-14-15(9-25-19(14)24-8-13)20-26-10-16(23)17(28-20)4-12-2-1-3-21(6-12)7-18(29)27-11-21;21-11-5-13-15(7-24-18(13)23-6-11)19-25-8-16(22)17(26-19)4-10-1-9-2-12(10)14(3-9)20(27)28/h7-12,14,16H,3-6H2,1-2H3,(H,25,26);7,9-13H,3-6,8H2,1-2H3,(H,25,26);2*5,8-10,12H,1-4,6-7,11H2,(H,24,25)(H,27,29);5-10,12,14H,1-4H2,(H,23,24)(H,27,28)/t;12?,13-,22+;12-,21+;12-,21-;/m.111./s1.
What are the key properties of 6-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxylic acid;6-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]methyl]-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide;(5R,7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-2-azaspiro[4.5]decan-3-one;(5S,7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-2-azaspiro[4.5]decan-3-one;(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one?
6-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxylic acid;6-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]methyl]-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide;(5R,7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-2-azaspiro[4.5]decan-3-one;(5S,7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-2-azaspiro[4.5]decan-3-one;(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 2051.06 g/mol, XLogP of 19.52, 17 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]methyl]bicyclo[2.2.1]heptane-2-carboxylic acid;6-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]methyl]-N,N-dimethylbicyclo[2.2.1]heptane-2-carboxamide;(5R,7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-2-azaspiro[4.5]decan-3-one;(5S,7S)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-2-azaspiro[4.5]decan-3-one;(5S,7R)-7-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]-3,4-dimethyl-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 158344535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).