(5R)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-5-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;(7R)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;(7S)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[2-(methylsulfonimidoyl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine

C116H144F8N32OS — CID 157335310

IUPAC(5R)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-5-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;(7R)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;(7S)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[2-(methylsulfonimidoyl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
SMILESCCC(CC)n1c(C)nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCN(C)C)[C@@H]5C)ncc3F)cc21.CCC(CC)n1c(C)nc2c(F)cc(-c3nc(Nc4ccc5c(n4)C[C@@H](C)N(CCN(C)C)C5)ncc3F)cc21.CCC(CC)n1c(C)nc2c(F)cc(-c3nc(Nc4ccc5c(n4)C[C@H](C)N(CCN(C)C)C5)ncc3F)cc21.[H]N=S(C)(=O)CCN1CCc2nc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)ccc2C1
InChIInChI=1S/3C30H38F2N8.C26H30F2N8OS/c2*1-7-22(8-2)40-19(4)34-29-23(31)14-21(15-26(29)40)28-24(32)16-33-30(37-28)36-27-10-9-20-17-39(12-11-38(5)6)18(3)13-25(20)35-27;1-7-21(8-2)40-19(4)34-29-23(31)15-20(16-26(29)40)28-24(32)17-33-30(37-28)36-27-10-9-22-18(3)39(14-13-38(5)6)12-11-25(22)35-27;1-15(2)36-16(3)31-25-19(27)11-18(12-22(25)36)24-20(28)13-30-26(34-24)33-23-6-5-17-14-35(8-7-21(17)32-23)9-10-38(4,29)37/h2*9-10,14-16,18,22H,7-8,11-13,17H2,1-6H3,(H,33,35,36,37);9-10,15-18,21H,7-8,11-14H2,1-6H3,(H,33,35,36,37);5-6,11-13,15,29H,7-10,14H2,1-4H3,(H,30,32,33,34)/t3*18-;/m101./s1
InChIKeyBFTRHDOHYMHJOP-OQTUUTNBSA-N
MW2186.70 g/mol
LogP22.67
Rot. Bonds34

About (5R)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-5-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;(7R)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;(7S)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[2-(methylsulfonimidoyl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine

(5R)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-5-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;(7R)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;(7S)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[2-(methylsulfonimidoyl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine (PubChem CID 157335310) has the molecular formula C116H144F8N32OS and a molecular weight of 2186.70 g/mol. Its IUPAC name is (5R)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-5-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;(7R)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;(7S)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[2-(methylsulfonimidoyl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine.

Molecular Properties

Compound Name(5R)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-5-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;(7R)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;(7S)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[2-(methylsulfonimidoyl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
PubChem CID157335310
Molecular FormulaC116H144F8N32OS
Molecular Weight2186.70 g/mol
Exact Mass2185.18
IUPAC Name(5R)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-5-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;(7R)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;(7S)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[2-(methylsulfonimidoyl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
SMILESCCC(CC)n1c(C)nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCN(C)C)[C@@H]5C)ncc3F)cc21.CCC(CC)n1c(C)nc2c(F)cc(-c3nc(Nc4ccc5c(n4)C[C@@H](C)N(CCN(C)C)C5)ncc3F)cc21.CCC(CC)n1c(C)nc2c(F)cc(-c3nc(Nc4ccc5c(n4)C[C@H](C)N(CCN(C)C)C5)ncc3F)cc21.[H]N=S(C)(=O)CCN1CCc2nc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)ccc2C1
InChIInChI=1S/3C30H38F2N8.C26H30F2N8OS/c2*1-7-22(8-2)40-19(4)34-29-23(31)14-21(15-26(29)40)28-24(32)16-33-30(37-28)36-27-10-9-20-17-39(12-11-38(5)6)18(3)13-25(20)35-27;1-7-21(8-2)40-19(4)34-29-23(31)15-20(16-26(29)40)28-24(32)17-33-30(37-28)36-27-10-9-22-18(3)39(14-13-38(5)6)12-11-25(22)35-27;1-15(2)36-16(3)31-25-19(27)11-18(12-22(25)36)24-20(28)13-30-26(34-24)33-23-6-5-17-14-35(8-7-21(17)32-23)9-10-38(4,29)37/h2*9-10,14-16,18,22H,7-8,11-13,17H2,1-6H3,(H,33,35,36,37);9-10,15-18,21H,7-8,11-14H2,1-6H3,(H,33,35,36,37);5-6,11-13,15,29H,7-10,14H2,1-4H3,(H,30,32,33,34)/t3*18-;/m101./s1
InChIKeyBFTRHDOHYMHJOP-OQTUUTNBSA-N
XLogP22.67
TPSA337.68 Ų
H-Bond Donors5
H-Bond Acceptors33
Rotatable Bonds34
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002186.70
LogP ≤ 522.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1033

Analyze (5R)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-5-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;(7R)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;(7S)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[2-(methylsulfonimidoyl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[4-(3-tert-butyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[2-[methyl(prop-2-ynyl)amino]ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
CID 157306938
3-[6-[2-[[6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-fluoropyrimidin-4-yl]-4-fluoro-2-methylbenzimidazol-1-yl]cyclobutan-1-one
CID 130196947
(5R)-N-[4-(3-tert-butyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-5-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;(5S)-N-[4-(3-tert-butyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-5-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine
CID 158736378
1-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3-hydroxy-3-methylbutan-2-one
CID 135369246
N-[4-[3-(3,3-difluorocyclobutyl)-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoropyrimidin-2-yl]-6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
CID 130196863
1-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-3-hydroxypropan-2-one
CID 135369191
N-[4-(3-tert-butyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[2-[methyl-[2-(trimethyl-λ4-sulfanyl)ethyl]amino]ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
CID 146610110
N'-[2-[2-[[4-(3-tert-butyl-7-fluoro-2-methylbenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-N,N,N'-trimethylethane-1,2-diamine
CID 130196900
1-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]butan-1-one
CID 159719958
N-[4-(3-cyclopropyl-7-fluoro-2-iodobenzimidazol-5-yl)-5-fluoropyrimidin-2-yl]-6-[3-(dimethylamino)propyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine
CID 163499196
tert-butyl-[N'-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamic acid
CID 135369245
6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;tert-butyl N-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-oxoethyl]carbamate
CID 158244073

Frequently Asked Questions

What is the IUPAC name of (5R)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-5-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;(7R)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;(7S)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[2-(methylsulfonimidoyl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
The IUPAC name of (5R)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-5-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;(7R)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;(7S)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[2-(methylsulfonimidoyl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine (CID 157335310) is (5R)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-5-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;(7R)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;(7S)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[2-(methylsulfonimidoyl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine.
What is the SMILES notation for (5R)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-5-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;(7R)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;(7S)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[2-(methylsulfonimidoyl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
The canonical SMILES for (5R)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-5-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;(7R)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;(7S)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[2-(methylsulfonimidoyl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine is CCC(CC)n1c(C)nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCN(C)C)[C@@H]5C)ncc3F)cc21.CCC(CC)n1c(C)nc2c(F)cc(-c3nc(Nc4ccc5c(n4)C[C@@H](C)N(CCN(C)C)C5)ncc3F)cc21.CCC(CC)n1c(C)nc2c(F)cc(-c3nc(Nc4ccc5c(n4)C[C@H](C)N(CCN(C)C)C5)ncc3F)cc21.[H]N=S(C)(=O)CCN1CCc2nc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)ccc2C1.
What is the InChIKey of (5R)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-5-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;(7R)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;(7S)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[2-(methylsulfonimidoyl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
The InChIKey is BFTRHDOHYMHJOP-OQTUUTNBSA-N. The full InChI is InChI=1S/3C30H38F2N8.C26H30F2N8OS/c2*1-7-22(8-2)40-19(4)34-29-23(31)14-21(15-26(29)40)28-24(32)16-33-30(37-28)36-27-10-9-20-17-39(12-11-38(5)6)18(3)13-25(20)35-27;1-7-21(8-2)40-19(4)34-29-23(31)15-20(16-26(29)40)28-24(32)17-33-30(37-28)36-27-10-9-22-18(3)39(14-13-38(5)6)12-11-25(22)35-27;1-15(2)36-16(3)31-25-19(27)11-18(12-22(25)36)24-20(28)13-30-26(34-24)33-23-6-5-17-14-35(8-7-21(17)32-23)9-10-38(4,29)37/h2*9-10,14-16,18,22H,7-8,11-13,17H2,1-6H3,(H,33,35,36,37);9-10,15-18,21H,7-8,11-14H2,1-6H3,(H,33,35,36,37);5-6,11-13,15,29H,7-10,14H2,1-4H3,(H,30,32,33,34)/t3*18-;/m101./s1.
What are the key properties of (5R)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-5-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;(7R)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;(7S)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[2-(methylsulfonimidoyl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine?
(5R)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-5-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;(7R)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;(7S)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[2-(methylsulfonimidoyl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine has a molecular weight of 2186.70 g/mol, XLogP of 22.67, 34 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-5-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;(7R)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;(7S)-6-[2-(dimethylamino)ethyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-pentan-3-ylbenzimidazol-5-yl)pyrimidin-2-yl]-7-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-amine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[2-(methylsulfonimidoyl)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine is sourced from PubChem (CID 157335310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).