N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-ethyl-5-methyl-N-[(2S)-4-(5-methyl-2-pyridinyl)butan-2-yl]-2-(triazol-2-yl)benzamide

C114H123F14N23O5 — CID 158446173

IUPACN-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-ethyl-5-methyl-N-[(2S)-4-(5-methyl-2-pyridinyl)butan-2-yl]-2-(triazol-2-yl)benzamide
SMILESCCN(C(=O)c1cc(C)ccc1-n1nccn1)[C@@H](C)CCc1ccc(C)cn1.CCN(C(=O)c1cc(F)ccc1-c1ncccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cc1F.CCN(C(=O)c1cccc(F)c1-c1ncccn1)[C@@H](C)CCc1ccc(C(C)(F)F)cn1.CCN(C(=O)c1cccc(F)c1-n1nccn1)[C@@H](C)CCc1ccc(C(C)(F)F)cn1.CCN(C(=O)c1cccc(F)c1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cc1F
InChIInChI=1S/C24H24F4N4O.C24H25F3N4O.C22H23F4N5O.C22H24F3N5O.C22H27N5O/c1-4-32(15(2)6-9-21-20(26)12-16(14-31-21)24(3,27)28)23(33)19-13-17(25)7-8-18(19)22-29-10-5-11-30-22;1-4-31(16(2)9-11-18-12-10-17(15-30-18)24(3,26)27)23(32)19-7-5-8-20(25)21(19)22-28-13-6-14-29-22;1-4-30(14(2)8-9-19-18(24)12-15(13-27-19)22(3,25)26)21(32)16-6-5-7-17(23)20(16)31-28-10-11-29-31;1-4-29(15(2)8-10-17-11-9-16(14-26-17)22(3,24)25)21(31)18-6-5-7-19(23)20(18)30-27-12-13-28-30;1-5-26(18(4)8-10-19-9-6-17(3)15-23-19)22(28)20-14-16(2)7-11-21(20)27-24-12-13-25-27/h5,7-8,10-15H,4,6,9H2,1-3H3;5-8,10,12-16H,4,9,11H2,1-3H3;5-7,10-14H,4,8-9H2,1-3H3;5-7,9,11-15H,4,8,10H2,1-3H3;6-7,9,11-15,18H,5,8,10H2,1-4H3/t15-;16-;14-;15-;18-/m00000/s1
InChIKeyHDKPDTBQFZXISW-ZCGGYKTMSA-N
MW2161.37 g/mol
LogP23.38
Rot. Bonds39

About N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-ethyl-5-methyl-N-[(2S)-4-(5-methyl-2-pyridinyl)butan-2-yl]-2-(triazol-2-yl)benzamide

N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-ethyl-5-methyl-N-[(2S)-4-(5-methyl-2-pyridinyl)butan-2-yl]-2-(triazol-2-yl)benzamide (PubChem CID 158446173) has the molecular formula C114H123F14N23O5 and a molecular weight of 2161.37 g/mol. Its IUPAC name is N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-ethyl-5-methyl-N-[(2S)-4-(5-methyl-2-pyridinyl)butan-2-yl]-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-ethyl-5-methyl-N-[(2S)-4-(5-methyl-2-pyridinyl)butan-2-yl]-2-(triazol-2-yl)benzamide
PubChem CID158446173
Molecular FormulaC114H123F14N23O5
Molecular Weight2161.37 g/mol
Exact Mass2159.99
IUPAC NameN-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-ethyl-5-methyl-N-[(2S)-4-(5-methyl-2-pyridinyl)butan-2-yl]-2-(triazol-2-yl)benzamide
SMILESCCN(C(=O)c1cc(C)ccc1-n1nccn1)[C@@H](C)CCc1ccc(C)cn1.CCN(C(=O)c1cc(F)ccc1-c1ncccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cc1F.CCN(C(=O)c1cccc(F)c1-c1ncccn1)[C@@H](C)CCc1ccc(C(C)(F)F)cn1.CCN(C(=O)c1cccc(F)c1-n1nccn1)[C@@H](C)CCc1ccc(C(C)(F)F)cn1.CCN(C(=O)c1cccc(F)c1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cc1F
InChIInChI=1S/C24H24F4N4O.C24H25F3N4O.C22H23F4N5O.C22H24F3N5O.C22H27N5O/c1-4-32(15(2)6-9-21-20(26)12-16(14-31-21)24(3,27)28)23(33)19-13-17(25)7-8-18(19)22-29-10-5-11-30-22;1-4-31(16(2)9-11-18-12-10-17(15-30-18)24(3,26)27)23(32)19-7-5-8-20(25)21(19)22-28-13-6-14-29-22;1-4-30(14(2)8-9-19-18(24)12-15(13-27-19)22(3,25)26)21(32)16-6-5-7-17(23)20(16)31-28-10-11-29-31;1-4-29(15(2)8-10-17-11-9-16(14-26-17)22(3,24)25)21(31)18-6-5-7-19(23)20(18)30-27-12-13-28-30;1-5-26(18(4)8-10-19-9-6-17(3)15-23-19)22(28)20-14-16(2)7-11-21(20)27-24-12-13-25-27/h5,7-8,10-15H,4,6,9H2,1-3H3;5-8,10,12-16H,4,9,11H2,1-3H3;5-7,10-14H,4,8-9H2,1-3H3;5-7,9,11-15H,4,8,10H2,1-3H3;6-7,9,11-15,18H,5,8,10H2,1-4H3/t15-;16-;14-;15-;18-/m00000/s1
InChIKeyHDKPDTBQFZXISW-ZCGGYKTMSA-N
XLogP23.38
TPSA309.69 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds39
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002161.37
LogP ≤ 523.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-ethyl-5-methyl-N-[(2S)-4-(5-methyl-2-pyridinyl)butan-2-yl]-2-(triazol-2-yl)benzamide with MolForge

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Launch Full Analysis

Related Compounds

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CID 177654733
2-[4-[[4-[4-[(3E)-3-[(5E)-5-[[1-difluoroboranyl-5-[[4-[4-[(5,11-dimethyl-6-oxopyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]pyrazol-1-yl]-1-methylpiperidin-2-yl]methyl]-3-methylpyrrol-2-yl]methylidene]pyrrol-2-ylidene]propanoyl]piperazin-1-yl]piperidin-1-yl]methyl]-3-(trifluoromethyl)anilino]-10-fluoro-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one
CID 123191102
[3-[[2-[2-[2-[[(5-Chloropyridin-2-yl)amino]methyl]-3-methylpiperidine-1-carbonyl]-4-fluorophenyl]triazol-4-yl]methyl]-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
CID 123200048
[5-Methyl-2-(3-methylpyrazol-1-yl)phenyl]-[3-[2-[1-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidine-1-carbonyl]phenyl]pyrazol-4-yl]ethyl]-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-1-yl]methanone
CID 123214932
(2-Imidazol-1-yl-5-methylphenyl)-[3-[[2-[4-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidine-1-carbonyl]phenyl]triazol-4-yl]methyl]-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-1-yl]methanone
CID 123228048
[3-[[2-[2-[4,4-Difluoro-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidine-1-carbonyl]-4-methylphenyl]triazol-4-yl]methyl]-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
CID 123233507
[5-Methyl-2-[2-[[3-methyl-1-[5-methyl-2-(3-methylpyrazol-1-yl)benzoyl]-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-4-yl]methyl]-4-pyridinyl]phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 123407128
CID 123664216
CID 123664216
3-[[2,6-Difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7-[3-[3,5-difluoro-4-[(4-oxopyrido[3,4-d]pyrimidin-3-yl)methyl]phenyl]imidazo[1,2-a]pyridin-7-yl]pyrido[3,2-d]pyrimidin-4-one
CID 123701302
[5-Methyl-2-[1-[2-[1-(5-methyl-2-pyrazin-2-ylbenzoyl)-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-3-yl]ethyl]pyrazol-3-yl]phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-1-yl]methanone
CID 123736718
[5-Fluoro-2-[4-[[1-[6-fluoro-3-methyl-2-(triazol-2-yl)benzoyl]-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-3-yl]methyl]pyrimidin-2-yl]-3-methylphenyl]-[3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]methanone
CID 123753847
[5-methyl-2-[2-[[(2S,3R)-3-methyl-1-[5-methyl-2-(3-methylpyrazol-1-yl)benzoyl]-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-4-yl]methyl]pyridin-4-yl]phenyl]-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)pyridin-2-yl]amino]methyl]piperidin-1-yl]methanone
CID 134408473

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-ethyl-5-methyl-N-[(2S)-4-(5-methyl-2-pyridinyl)butan-2-yl]-2-(triazol-2-yl)benzamide?
The IUPAC name of N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-ethyl-5-methyl-N-[(2S)-4-(5-methyl-2-pyridinyl)butan-2-yl]-2-(triazol-2-yl)benzamide (CID 158446173) is N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-ethyl-5-methyl-N-[(2S)-4-(5-methyl-2-pyridinyl)butan-2-yl]-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-ethyl-5-methyl-N-[(2S)-4-(5-methyl-2-pyridinyl)butan-2-yl]-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-ethyl-5-methyl-N-[(2S)-4-(5-methyl-2-pyridinyl)butan-2-yl]-2-(triazol-2-yl)benzamide is CCN(C(=O)c1cc(C)ccc1-n1nccn1)[C@@H](C)CCc1ccc(C)cn1.CCN(C(=O)c1cc(F)ccc1-c1ncccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cc1F.CCN(C(=O)c1cccc(F)c1-c1ncccn1)[C@@H](C)CCc1ccc(C(C)(F)F)cn1.CCN(C(=O)c1cccc(F)c1-n1nccn1)[C@@H](C)CCc1ccc(C(C)(F)F)cn1.CCN(C(=O)c1cccc(F)c1-n1nccn1)[C@@H](C)CCc1ncc(C(C)(F)F)cc1F.
What is the InChIKey of N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-ethyl-5-methyl-N-[(2S)-4-(5-methyl-2-pyridinyl)butan-2-yl]-2-(triazol-2-yl)benzamide?
The InChIKey is HDKPDTBQFZXISW-ZCGGYKTMSA-N. The full InChI is InChI=1S/C24H24F4N4O.C24H25F3N4O.C22H23F4N5O.C22H24F3N5O.C22H27N5O/c1-4-32(15(2)6-9-21-20(26)12-16(14-31-21)24(3,27)28)23(33)19-13-17(25)7-8-18(19)22-29-10-5-11-30-22;1-4-31(16(2)9-11-18-12-10-17(15-30-18)24(3,26)27)23(32)19-7-5-8-20(25)21(19)22-28-13-6-14-29-22;1-4-30(14(2)8-9-19-18(24)12-15(13-27-19)22(3,25)26)21(32)16-6-5-7-17(23)20(16)31-28-10-11-29-31;1-4-29(15(2)8-10-17-11-9-16(14-26-17)22(3,24)25)21(31)18-6-5-7-19(23)20(18)30-27-12-13-28-30;1-5-26(18(4)8-10-19-9-6-17(3)15-23-19)22(28)20-14-16(2)7-11-21(20)27-24-12-13-25-27/h5,7-8,10-15H,4,6,9H2,1-3H3;5-8,10,12-16H,4,9,11H2,1-3H3;5-7,10-14H,4,8-9H2,1-3H3;5-7,9,11-15H,4,8,10H2,1-3H3;6-7,9,11-15,18H,5,8,10H2,1-4H3/t15-;16-;14-;15-;18-/m00000/s1.
What are the key properties of N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-ethyl-5-methyl-N-[(2S)-4-(5-methyl-2-pyridinyl)butan-2-yl]-2-(triazol-2-yl)benzamide?
N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-ethyl-5-methyl-N-[(2S)-4-(5-methyl-2-pyridinyl)butan-2-yl]-2-(triazol-2-yl)benzamide has a molecular weight of 2161.37 g/mol, XLogP of 23.38, 39 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-5-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-[(2S)-4-[5-(1,1-difluoroethyl)-2-pyridinyl]butan-2-yl]-N-ethyl-3-fluoro-2-(triazol-2-yl)benzamide;N-ethyl-5-methyl-N-[(2S)-4-(5-methyl-2-pyridinyl)butan-2-yl]-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 158446173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).