(2S)-2-[5-[2-(dimethylamino)-1,1-difluoroethyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-2-[5-[2-(dimethylamino)ethyl]-2-oxopyrazin-1-yl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(7-methyl-3-oxo-6,8-dihydro-5H-2,7-naphthyridin-2-yl)pentanamide

C127H163F2N17O12 — CID 160944230

IUPAC(2S)-2-[5-[2-(dimethylamino)-1,1-difluoroethyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-2-[5-[2-(dimethylamino)ethyl]-2-oxopyrazin-1-yl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(7-methyl-3-oxo-6,8-dihydro-5H-2,7-naphthyridin-2-yl)pentanamide
SMILESCC(=O)C[C@H](NC(=O)C(CC(C)C)n1cc2c(cc1=O)CCN(C)C2)c1cncc(-c2c(C)cccc2C)c1.CC(=O)C[C@H](NC(=O)[C@H](CC(C)C)n1cc(C(F)(F)CN(C)C)ccc1=O)c1cncc(-c2c(C)cccc2C)c1.CC(=O)C[C@H](NC(=O)[C@H](CC(C)C)n1cc(CCN(C)C)ncc1=O)c1cncc(-c2c(C)cccc2C)c1.CC(=O)C[C@H](NC(=O)[C@H](CC(C)C)n1cc(CN(C)C)c(C)cc1=O)c1cncc(-c2c(C)cccc2C)c1
InChIInChI=1S/C32H40F2N4O3.C32H40N4O3.C32H42N4O3.C31H41N5O3/c1-20(2)13-28(38-18-26(11-12-29(38)40)32(33,34)19-37(6)7)31(41)36-27(14-23(5)39)24-15-25(17-35-16-24)30-21(3)9-8-10-22(30)4;1-20(2)12-29(36-19-27-18-35(6)11-10-24(27)15-30(36)38)32(39)34-28(13-23(5)37)25-14-26(17-33-16-25)31-21(3)8-7-9-22(31)4;1-20(2)12-29(36-19-27(18-35(7)8)23(5)13-30(36)38)32(39)34-28(14-24(6)37)25-15-26(17-33-16-25)31-21(3)10-9-11-22(31)4;1-20(2)13-28(36-19-26(11-12-35(6)7)33-18-29(36)38)31(39)34-27(14-23(5)37)24-15-25(17-32-16-24)30-21(3)9-8-10-22(30)4/h8-12,15-18,20,27-28H,13-14,19H2,1-7H3,(H,36,41);7-9,14-17,19-20,28-29H,10-13,18H2,1-6H3,(H,34,39);9-11,13,15-17,19-20,28-29H,12,14,18H2,1-8H3,(H,34,39);8-10,15-20,27-28H,11-14H2,1-7H3,(H,34,39)/t27-,28-;28-,29?;28-,29-;27-,28-/m0000/s1
InChIKeySUXCGMLICLRVLG-HGPNWCNKSA-N
MW2157.80 g/mol
LogP20.31
Rot. Bonds44

About (2S)-2-[5-[2-(dimethylamino)-1,1-difluoroethyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-2-[5-[2-(dimethylamino)ethyl]-2-oxopyrazin-1-yl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(7-methyl-3-oxo-6,8-dihydro-5H-2,7-naphthyridin-2-yl)pentanamide

(2S)-2-[5-[2-(dimethylamino)-1,1-difluoroethyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-2-[5-[2-(dimethylamino)ethyl]-2-oxopyrazin-1-yl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(7-methyl-3-oxo-6,8-dihydro-5H-2,7-naphthyridin-2-yl)pentanamide (PubChem CID 160944230) has the molecular formula C127H163F2N17O12 and a molecular weight of 2157.80 g/mol. Its IUPAC name is (2S)-2-[5-[2-(dimethylamino)-1,1-difluoroethyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-2-[5-[2-(dimethylamino)ethyl]-2-oxopyrazin-1-yl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(7-methyl-3-oxo-6,8-dihydro-5H-2,7-naphthyridin-2-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-[5-[2-(dimethylamino)-1,1-difluoroethyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-2-[5-[2-(dimethylamino)ethyl]-2-oxopyrazin-1-yl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(7-methyl-3-oxo-6,8-dihydro-5H-2,7-naphthyridin-2-yl)pentanamide
PubChem CID160944230
Molecular FormulaC127H163F2N17O12
Molecular Weight2157.80 g/mol
Exact Mass2156.26
IUPAC Name(2S)-2-[5-[2-(dimethylamino)-1,1-difluoroethyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-2-[5-[2-(dimethylamino)ethyl]-2-oxopyrazin-1-yl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(7-methyl-3-oxo-6,8-dihydro-5H-2,7-naphthyridin-2-yl)pentanamide
SMILESCC(=O)C[C@H](NC(=O)C(CC(C)C)n1cc2c(cc1=O)CCN(C)C2)c1cncc(-c2c(C)cccc2C)c1.CC(=O)C[C@H](NC(=O)[C@H](CC(C)C)n1cc(C(F)(F)CN(C)C)ccc1=O)c1cncc(-c2c(C)cccc2C)c1.CC(=O)C[C@H](NC(=O)[C@H](CC(C)C)n1cc(CCN(C)C)ncc1=O)c1cncc(-c2c(C)cccc2C)c1.CC(=O)C[C@H](NC(=O)[C@H](CC(C)C)n1cc(CN(C)C)c(C)cc1=O)c1cncc(-c2c(C)cccc2C)c1
InChIInChI=1S/C32H40F2N4O3.C32H40N4O3.C32H42N4O3.C31H41N5O3/c1-20(2)13-28(38-18-26(11-12-29(38)40)32(33,34)19-37(6)7)31(41)36-27(14-23(5)39)24-15-25(17-35-16-24)30-21(3)9-8-10-22(30)4;1-20(2)12-29(36-19-27-18-35(6)11-10-24(27)15-30(36)38)32(39)34-28(13-23(5)37)25-14-26(17-33-16-25)31-21(3)8-7-9-22(31)4;1-20(2)12-29(36-19-27(18-35(7)8)23(5)13-30(36)38)32(39)34-28(14-24(6)37)25-15-26(17-33-16-25)31-21(3)10-9-11-22(31)4;1-20(2)13-28(36-19-26(11-12-35(6)7)33-18-29(36)38)31(39)34-27(14-23(5)37)24-15-25(17-32-16-24)30-21(3)9-8-10-22(30)4/h8-12,15-18,20,27-28H,13-14,19H2,1-7H3,(H,36,41);7-9,14-17,19-20,28-29H,10-13,18H2,1-6H3,(H,34,39);9-11,13,15-17,19-20,28-29H,12,14,18H2,1-8H3,(H,34,39);8-10,15-20,27-28H,11-14H2,1-7H3,(H,34,39)/t27-,28-;28-,29?;28-,29-;27-,28-/m0000/s1
InChIKeySUXCGMLICLRVLG-HGPNWCNKSA-N
XLogP20.31
TPSA350.09 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds44
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002157.80
LogP ≤ 520.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze (2S)-2-[5-[2-(dimethylamino)-1,1-difluoroethyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-2-[5-[2-(dimethylamino)ethyl]-2-oxopyrazin-1-yl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(7-methyl-3-oxo-6,8-dihydro-5H-2,7-naphthyridin-2-yl)pentanamide with MolForge

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Related Compounds

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2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperidin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
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2,3-bis[(5S)-6-[(2S)-2-[5-(4-fluorobenzoyl)-3-pyridinyl]pyrrolidin-1-yl]-5-[[(2S)-2-(methylamino)propanoyl]amino]-6-oxohexyl]benzene-1,4-dicarboxamide
CID 87384075
2,3-Bis[6-[2-[5-(4-fluorobenzoyl)-3-pyridinyl]pyrrolidin-1-yl]-5-[2-(methylamino)propanoylamino]-6-oxohexyl]benzene-1,4-dicarboxamide
CID 87384078
2-[(3S,5R)-4-(3-fluoro-2-methylphenyl)-3,5-bis(pyridine-3-carbonyl)piperidin-1-yl]-2-[[2-[(3S,5R)-4-(3-fluoro-2-methylphenyl)-3,5-bis(pyridine-3-carbonyl)piperidin-1-yl]acetyl]amino]-N,N-dimethylacetamide
CID 87722571
[5-[(3,4-Dimethylphenyl)methyl]-1-(pyridine-3-carbonyl)-6-[2-(trifluoromethyl)benzoyl]piperazin-2-yl]-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
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3-[1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-5-[[(3S)-3-(methylamino)but-1-en-2-yl]amino]-6-oxo-2-pyridinyl]-N,2-dimethylbenzamide
CID 89266155
2-[4-[acetyl(cyclohexyl)amino]piperidin-1-yl]-N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenylacetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-phenylpiperidin-1-yl)acetamide;N-methyl-N-[2-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]benzamide;N-[1-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1-phenylbutyl]piperidin-4-yl]-N-pyridin-2-ylbenzamide
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CID 146189253
(3S)-3-[[(2S)-2-[4-[3-[5-[(1S)-2-carboxy-1-[[(2S)-4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanoyl]amino]ethyl]-3-pyridinyl]-2,4-dimethylphenyl]-2-oxo-5-propylpiperidin-1-yl]-4-methylpentanoyl]amino]-3-[5-(2,6-dimethylphenyl)-3-pyridinyl]propanoic acid
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(3S)-3-[[2-[4-[4-[5-[(1S)-2-carboxy-1-[[(2S)-4-methyl-2-(4-methyl-2-oxo-1-pyridinyl)pentanoyl]amino]ethyl]-3-pyridinyl]-3,5-dimethyl-2-pyridinyl]-2-oxopiperidin-1-yl]-4-methylpentanoyl]amino]-3-[5-(2-methylphenyl)-6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 155374640

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5-[2-(dimethylamino)-1,1-difluoroethyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-2-[5-[2-(dimethylamino)ethyl]-2-oxopyrazin-1-yl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(7-methyl-3-oxo-6,8-dihydro-5H-2,7-naphthyridin-2-yl)pentanamide?
The IUPAC name of (2S)-2-[5-[2-(dimethylamino)-1,1-difluoroethyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-2-[5-[2-(dimethylamino)ethyl]-2-oxopyrazin-1-yl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(7-methyl-3-oxo-6,8-dihydro-5H-2,7-naphthyridin-2-yl)pentanamide (CID 160944230) is (2S)-2-[5-[2-(dimethylamino)-1,1-difluoroethyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-2-[5-[2-(dimethylamino)ethyl]-2-oxopyrazin-1-yl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(7-methyl-3-oxo-6,8-dihydro-5H-2,7-naphthyridin-2-yl)pentanamide.
What is the SMILES notation for (2S)-2-[5-[2-(dimethylamino)-1,1-difluoroethyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-2-[5-[2-(dimethylamino)ethyl]-2-oxopyrazin-1-yl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(7-methyl-3-oxo-6,8-dihydro-5H-2,7-naphthyridin-2-yl)pentanamide?
The canonical SMILES for (2S)-2-[5-[2-(dimethylamino)-1,1-difluoroethyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-2-[5-[2-(dimethylamino)ethyl]-2-oxopyrazin-1-yl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(7-methyl-3-oxo-6,8-dihydro-5H-2,7-naphthyridin-2-yl)pentanamide is CC(=O)C[C@H](NC(=O)C(CC(C)C)n1cc2c(cc1=O)CCN(C)C2)c1cncc(-c2c(C)cccc2C)c1.CC(=O)C[C@H](NC(=O)[C@H](CC(C)C)n1cc(C(F)(F)CN(C)C)ccc1=O)c1cncc(-c2c(C)cccc2C)c1.CC(=O)C[C@H](NC(=O)[C@H](CC(C)C)n1cc(CCN(C)C)ncc1=O)c1cncc(-c2c(C)cccc2C)c1.CC(=O)C[C@H](NC(=O)[C@H](CC(C)C)n1cc(CN(C)C)c(C)cc1=O)c1cncc(-c2c(C)cccc2C)c1.
What is the InChIKey of (2S)-2-[5-[2-(dimethylamino)-1,1-difluoroethyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-2-[5-[2-(dimethylamino)ethyl]-2-oxopyrazin-1-yl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(7-methyl-3-oxo-6,8-dihydro-5H-2,7-naphthyridin-2-yl)pentanamide?
The InChIKey is SUXCGMLICLRVLG-HGPNWCNKSA-N. The full InChI is InChI=1S/C32H40F2N4O3.C32H40N4O3.C32H42N4O3.C31H41N5O3/c1-20(2)13-28(38-18-26(11-12-29(38)40)32(33,34)19-37(6)7)31(41)36-27(14-23(5)39)24-15-25(17-35-16-24)30-21(3)9-8-10-22(30)4;1-20(2)12-29(36-19-27-18-35(6)11-10-24(27)15-30(36)38)32(39)34-28(13-23(5)37)25-14-26(17-33-16-25)31-21(3)8-7-9-22(31)4;1-20(2)12-29(36-19-27(18-35(7)8)23(5)13-30(36)38)32(39)34-28(14-24(6)37)25-15-26(17-33-16-25)31-21(3)10-9-11-22(31)4;1-20(2)13-28(36-19-26(11-12-35(6)7)33-18-29(36)38)31(39)34-27(14-23(5)37)24-15-25(17-32-16-24)30-21(3)9-8-10-22(30)4/h8-12,15-18,20,27-28H,13-14,19H2,1-7H3,(H,36,41);7-9,14-17,19-20,28-29H,10-13,18H2,1-6H3,(H,34,39);9-11,13,15-17,19-20,28-29H,12,14,18H2,1-8H3,(H,34,39);8-10,15-20,27-28H,11-14H2,1-7H3,(H,34,39)/t27-,28-;28-,29?;28-,29-;27-,28-/m0000/s1.
What are the key properties of (2S)-2-[5-[2-(dimethylamino)-1,1-difluoroethyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-2-[5-[2-(dimethylamino)ethyl]-2-oxopyrazin-1-yl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(7-methyl-3-oxo-6,8-dihydro-5H-2,7-naphthyridin-2-yl)pentanamide?
(2S)-2-[5-[2-(dimethylamino)-1,1-difluoroethyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-2-[5-[2-(dimethylamino)ethyl]-2-oxopyrazin-1-yl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(7-methyl-3-oxo-6,8-dihydro-5H-2,7-naphthyridin-2-yl)pentanamide has a molecular weight of 2157.80 g/mol, XLogP of 20.31, 44 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[5-[2-(dimethylamino)-1,1-difluoroethyl]-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-2-[5-[2-(dimethylamino)ethyl]-2-oxopyrazin-1-yl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-2-[5-[(dimethylamino)methyl]-4-methyl-2-oxo-1-pyridinyl]-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methylpentanamide;(2S)-N-[(1S)-1-[5-(2,6-dimethylphenyl)-3-pyridinyl]-3-oxobutyl]-4-methyl-2-(7-methyl-3-oxo-6,8-dihydro-5H-2,7-naphthyridin-2-yl)pentanamide is sourced from PubChem (CID 160944230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).