8-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridine;6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-4-amine;6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-amine;(3S)-N-[6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide;methane;(4-methoxyphenyl)methanamine

C94H88ClF12N17O4 — CID 163792130

IUPAC8-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridine;6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-4-amine;6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-amine;(3S)-N-[6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide;methane;(4-methoxyphenyl)methanamine
SMILESC.COc1ccc(CN)cc1.COc1ccc(CNc2ccnc3ccc(N4C[C@@H](F)C[C@@H]4c4cc(F)ccc4F)nc23)cc1.Fc1ccc(F)c([C@H]2C[C@H](F)CN2c2ccc3nccc(Cl)c3n2)c1.Nc1ccnc2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3F)nc12.O=C(Nc1ccnc2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3F)nc12)N1CC[C@H](O)C1
InChIInChI=1S/C26H23F3N4O.C23H22F3N5O2.C18H13ClF3N3.C18H15F3N4.C8H11NO.CH4/c1-34-19-5-2-16(3-6-19)14-31-23-10-11-30-22-8-9-25(32-26(22)23)33-15-18(28)13-24(33)20-12-17(27)4-7-21(20)29;24-13-1-2-17(26)16(9-13)20-10-14(25)11-31(20)21-4-3-18-22(29-21)19(5-7-27-18)28-23(33)30-8-6-15(32)12-30;19-13-5-6-23-15-3-4-17(24-18(13)15)25-9-11(21)8-16(25)12-7-10(20)1-2-14(12)22;19-10-1-2-13(21)12(7-10)16-8-11(20)9-25(16)17-4-3-15-18(24-17)14(22)5-6-23-15;1-10-8-4-2-7(6-9)3-5-8;/h2-12,18,24H,13-15H2,1H3,(H,30,31);1-5,7,9,14-15,20,32H,6,8,10-12H2,(H,27,28,33);1-7,11,16H,8-9H2;1-7,11,16H,8-9H2,(H2,22,23);2-5H,6,9H2,1H3;1H4/t18-,24+;14-,15-,20+;2*11-,16+;;/m0000../s1
InChIKeyMXSKKZIYWOTSDH-YNYOKVPHSA-N
MW1783.28 g/mol
LogP20.03
Rot. Bonds15

About 8-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridine;6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-4-amine;6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-amine;(3S)-N-[6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide;methane;(4-methoxyphenyl)methanamine

8-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridine;6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-4-amine;6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-amine;(3S)-N-[6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide;methane;(4-methoxyphenyl)methanamine (PubChem CID 163792130) has the molecular formula C94H88ClF12N17O4 and a molecular weight of 1783.28 g/mol. Its IUPAC name is 8-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridine;6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-4-amine;6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-amine;(3S)-N-[6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide;methane;(4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name8-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridine;6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-4-amine;6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-amine;(3S)-N-[6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide;methane;(4-methoxyphenyl)methanamine
PubChem CID163792130
Molecular FormulaC94H88ClF12N17O4
Molecular Weight1783.28 g/mol
Exact Mass1781.67
IUPAC Name8-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridine;6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-4-amine;6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-amine;(3S)-N-[6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide;methane;(4-methoxyphenyl)methanamine
SMILESC.COc1ccc(CN)cc1.COc1ccc(CNc2ccnc3ccc(N4C[C@@H](F)C[C@@H]4c4cc(F)ccc4F)nc23)cc1.Fc1ccc(F)c([C@H]2C[C@H](F)CN2c2ccc3nccc(Cl)c3n2)c1.Nc1ccnc2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3F)nc12.O=C(Nc1ccnc2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3F)nc12)N1CC[C@H](O)C1
InChIInChI=1S/C26H23F3N4O.C23H22F3N5O2.C18H13ClF3N3.C18H15F3N4.C8H11NO.CH4/c1-34-19-5-2-16(3-6-19)14-31-23-10-11-30-22-8-9-25(32-26(22)23)33-15-18(28)13-24(33)20-12-17(27)4-7-21(20)29;24-13-1-2-17(26)16(9-13)20-10-14(25)11-31(20)21-4-3-18-22(29-21)19(5-7-27-18)28-23(33)30-8-6-15(32)12-30;19-13-5-6-23-15-3-4-17(24-18(13)15)25-9-11(21)8-16(25)12-7-10(20)1-2-14(12)22;19-10-1-2-13(21)12(7-10)16-8-11(20)9-25(16)17-4-3-15-18(24-17)14(22)5-6-23-15;1-10-8-4-2-7(6-9)3-5-8;/h2-12,18,24H,13-15H2,1H3,(H,30,31);1-5,7,9,14-15,20,32H,6,8,10-12H2,(H,27,28,33);1-7,11,16H,8-9H2;1-7,11,16H,8-9H2,(H2,22,23);2-5H,6,9H2,1H3;1H4/t18-,24+;14-,15-,20+;2*11-,16+;;/m0000../s1
InChIKeyMXSKKZIYWOTSDH-YNYOKVPHSA-N
XLogP20.03
TPSA251.18 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001783.28
LogP ≤ 520.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze 8-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridine;6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-4-amine;6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-amine;(3S)-N-[6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide;methane;(4-methoxyphenyl)methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridine;6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-4-amine;6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-amine;(3S)-N-[6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide;methane;(4-methoxyphenyl)methanamine?
The IUPAC name of 8-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridine;6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-4-amine;6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-amine;(3S)-N-[6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide;methane;(4-methoxyphenyl)methanamine (CID 163792130) is 8-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridine;6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-4-amine;6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-amine;(3S)-N-[6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide;methane;(4-methoxyphenyl)methanamine.
What is the SMILES notation for 8-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridine;6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-4-amine;6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-amine;(3S)-N-[6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide;methane;(4-methoxyphenyl)methanamine?
The canonical SMILES for 8-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridine;6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-4-amine;6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-amine;(3S)-N-[6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide;methane;(4-methoxyphenyl)methanamine is C.COc1ccc(CN)cc1.COc1ccc(CNc2ccnc3ccc(N4C[C@@H](F)C[C@@H]4c4cc(F)ccc4F)nc23)cc1.Fc1ccc(F)c([C@H]2C[C@H](F)CN2c2ccc3nccc(Cl)c3n2)c1.Nc1ccnc2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3F)nc12.O=C(Nc1ccnc2ccc(N3C[C@@H](F)C[C@@H]3c3cc(F)ccc3F)nc12)N1CC[C@H](O)C1.
What is the InChIKey of 8-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridine;6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-4-amine;6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-amine;(3S)-N-[6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide;methane;(4-methoxyphenyl)methanamine?
The InChIKey is MXSKKZIYWOTSDH-YNYOKVPHSA-N. The full InChI is InChI=1S/C26H23F3N4O.C23H22F3N5O2.C18H13ClF3N3.C18H15F3N4.C8H11NO.CH4/c1-34-19-5-2-16(3-6-19)14-31-23-10-11-30-22-8-9-25(32-26(22)23)33-15-18(28)13-24(33)20-12-17(27)4-7-21(20)29;24-13-1-2-17(26)16(9-13)20-10-14(25)11-31(20)21-4-3-18-22(29-21)19(5-7-27-18)28-23(33)30-8-6-15(32)12-30;19-13-5-6-23-15-3-4-17(24-18(13)15)25-9-11(21)8-16(25)12-7-10(20)1-2-14(12)22;19-10-1-2-13(21)12(7-10)16-8-11(20)9-25(16)17-4-3-15-18(24-17)14(22)5-6-23-15;1-10-8-4-2-7(6-9)3-5-8;/h2-12,18,24H,13-15H2,1H3,(H,30,31);1-5,7,9,14-15,20,32H,6,8,10-12H2,(H,27,28,33);1-7,11,16H,8-9H2;1-7,11,16H,8-9H2,(H2,22,23);2-5H,6,9H2,1H3;1H4/t18-,24+;14-,15-,20+;2*11-,16+;;/m0000../s1.
What are the key properties of 8-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridine;6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-4-amine;6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-amine;(3S)-N-[6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide;methane;(4-methoxyphenyl)methanamine?
8-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridine;6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-4-amine;6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-amine;(3S)-N-[6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide;methane;(4-methoxyphenyl)methanamine has a molecular weight of 1783.28 g/mol, XLogP of 20.03, 15 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridine;6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-N-[(4-methoxyphenyl)methyl]-1,5-naphthyridin-4-amine;6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-amine;(3S)-N-[6-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide;methane;(4-methoxyphenyl)methanamine is sourced from PubChem (CID 163792130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).