2-cyclopropyl-N-[7-(4-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[2-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[4-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine

C126H99F6N27O3S6 — CID 165061611

IUPAC2-cyclopropyl-N-[7-(4-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[2-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[4-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine
SMILESCS(=O)(=O)c1ccncc1-c1cc2ncccc2c(Nc2ccc3nc(C4CC4)sc3c2)n1.FC(F)(F)c1ccncc1-c1cc2ncccc2c(Nc2ccc3nc(C4CC4)sc3c2)n1.FC(F)(F)c1ncccc1-c1cc2ncccc2c(Nc2ccc3nc(C4CC4)sc3c2)n1.c1cnc2cc(-c3ccc(N4CCCC4)nc3)nc(Nc3ccc4nc(C5CC5)sc4c3)c2c1.c1cnc2cc(-c3ccc(N4CCOCC4)nc3)nc(Nc3ccc4nc(C5CC5)sc4c3)c2c1
InChIInChI=1S/C27H24N6OS.C27H24N6S.2C24H16F3N5S.C24H19N5O2S2/c1-2-20-23(28-9-1)15-22(18-5-8-25(29-16-18)33-10-12-34-13-11-33)31-26(20)30-19-6-7-21-24(14-19)35-27(32-21)17-3-4-17;1-2-13-33(12-1)25-10-7-18(16-29-25)22-15-23-20(4-3-11-28-23)26(31-22)30-19-8-9-21-24(14-19)34-27(32-21)17-5-6-17;25-24(26,27)21-15(3-1-10-29-21)19-12-18-16(4-2-9-28-18)22(31-19)30-14-7-8-17-20(11-14)33-23(32-17)13-5-6-13;25-24(26,27)17-7-9-28-12-16(17)20-11-19-15(2-1-8-29-19)22(31-20)30-14-5-6-18-21(10-14)33-23(32-18)13-3-4-13;1-33(30,31)22-8-10-25-13-17(22)20-12-19-16(3-2-9-26-19)23(28-20)27-15-6-7-18-21(11-15)32-24(29-18)14-4-5-14/h1-2,5-9,14-17H,3-4,10-13H2,(H,30,31);3-4,7-11,14-17H,1-2,5-6,12-13H2,(H,30,31);1-4,7-13H,5-6H2,(H,30,31);1-2,5-13H,3-4H2,(H,30,31);2-3,6-14H,4-5H2,1H3,(H,27,28)
InChIKeyRHNWHTGKPYYUDM-UHFFFAOYSA-N
MW2345.75 g/mol
LogP31.49
Rot. Bonds23

About 2-cyclopropyl-N-[7-(4-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[2-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[4-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine

2-cyclopropyl-N-[7-(4-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[2-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[4-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine (PubChem CID 165061611) has the molecular formula C126H99F6N27O3S6 and a molecular weight of 2345.75 g/mol. Its IUPAC name is 2-cyclopropyl-N-[7-(4-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[2-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[4-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[7-(4-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[2-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[4-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine
PubChem CID165061611
Molecular FormulaC126H99F6N27O3S6
Molecular Weight2345.75 g/mol
Exact Mass2343.67
IUPAC Name2-cyclopropyl-N-[7-(4-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[2-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[4-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine
SMILESCS(=O)(=O)c1ccncc1-c1cc2ncccc2c(Nc2ccc3nc(C4CC4)sc3c2)n1.FC(F)(F)c1ccncc1-c1cc2ncccc2c(Nc2ccc3nc(C4CC4)sc3c2)n1.FC(F)(F)c1ncccc1-c1cc2ncccc2c(Nc2ccc3nc(C4CC4)sc3c2)n1.c1cnc2cc(-c3ccc(N4CCCC4)nc3)nc(Nc3ccc4nc(C5CC5)sc4c3)c2c1.c1cnc2cc(-c3ccc(N4CCOCC4)nc3)nc(Nc3ccc4nc(C5CC5)sc4c3)c2c1
InChIInChI=1S/C27H24N6OS.C27H24N6S.2C24H16F3N5S.C24H19N5O2S2/c1-2-20-23(28-9-1)15-22(18-5-8-25(29-16-18)33-10-12-34-13-11-33)31-26(20)30-19-6-7-21-24(14-19)35-27(32-21)17-3-4-17;1-2-13-33(12-1)25-10-7-18(16-29-25)22-15-23-20(4-3-11-28-23)26(31-22)30-19-8-9-21-24(14-19)34-27(32-21)17-5-6-17;25-24(26,27)21-15(3-1-10-29-21)19-12-18-16(4-2-9-28-18)22(31-19)30-14-7-8-17-20(11-14)33-23(32-17)13-5-6-13;25-24(26,27)17-7-9-28-12-16(17)20-11-19-15(2-1-8-29-19)22(31-20)30-14-5-6-18-21(10-14)33-23(32-18)13-3-4-13;1-33(30,31)22-8-10-25-13-17(22)20-12-19-16(3-2-9-26-19)23(28-20)27-15-6-7-18-21(11-15)32-24(29-18)14-4-5-14/h1-2,5-9,14-17H,3-4,10-13H2,(H,30,31);3-4,7-11,14-17H,1-2,5-6,12-13H2,(H,30,31);1-4,7-13H,5-6H2,(H,30,31);1-2,5-13H,3-4H2,(H,30,31);2-3,6-14H,4-5H2,1H3,(H,27,28)
InChIKeyRHNWHTGKPYYUDM-UHFFFAOYSA-N
XLogP31.49
TPSA367.80 Ų
H-Bond Donors5
H-Bond Acceptors35
Rotatable Bonds23
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002345.75
LogP ≤ 531.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1035

Analyze 2-cyclopropyl-N-[7-(4-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[2-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[4-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine with MolForge

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Launch Full Analysis

Related Compounds

2-cyclopropyl-4-[[2-[5-[(2-cyclopropyl-1,3-benzothiazol-6-yl)amino]-1,6-naphthyridin-7-yl]-4-pyridinyl]sulfonylmethyl]-N-[7-[4-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine
CID 153635461
4-[4-[1-(Benzenesulfonyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,3-b]pyridin-5-yl]cyclohex-3-en-1-yl]morpholine;bis(4-[4-[1-(benzenesulfonyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine);methane
CID 157361492
2-cyclopropyl-N-[7-(4-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[2-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine
CID 164963834
N-[7-(3-chloro-4-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[3-(difluoromethyl)-4-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(3-fluoro-4-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(2-methylsulfonyl-4-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[3-(trifluoromethyl)-4-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine
CID 164976171
2-cyclopropyl-N-[7-(3-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[3-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[6-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine
CID 164995390
2-cyclopropyl-N-[7-(4-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-piperidin-1-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[2-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[4-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine
CID 165040815
N-[7-(5-bromo-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(3-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[3-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[6-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine
CID 165045241
N-[7-(4-chloro-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[4-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine
CID 165045289
N-[7-(4-chloro-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-fluoro-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[4-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine
CID 165055337
N-[7-(4-chloro-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;N-[7-(5-chloro-3-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-fluoro-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[4-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[5-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine
CID 165069514
2-cyclopropyl-N-[7-(3-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(4-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-(7-pyridin-2-yl-1,6-naphthyridin-5-yl)-2,3-dihydro-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[3-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[6-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine
CID 165082512
N-[7-(4-chloro-2-pyridinyl)-1,6-naphthyridin-5-yl]-2-cyclopropyl-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(5-methylsulfonyl-2-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[4-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine
CID 165086536

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[7-(4-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[2-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[4-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine?
The IUPAC name of 2-cyclopropyl-N-[7-(4-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[2-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[4-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine (CID 165061611) is 2-cyclopropyl-N-[7-(4-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[2-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[4-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-cyclopropyl-N-[7-(4-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[2-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[4-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-cyclopropyl-N-[7-(4-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[2-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[4-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine is CS(=O)(=O)c1ccncc1-c1cc2ncccc2c(Nc2ccc3nc(C4CC4)sc3c2)n1.FC(F)(F)c1ccncc1-c1cc2ncccc2c(Nc2ccc3nc(C4CC4)sc3c2)n1.FC(F)(F)c1ncccc1-c1cc2ncccc2c(Nc2ccc3nc(C4CC4)sc3c2)n1.c1cnc2cc(-c3ccc(N4CCCC4)nc3)nc(Nc3ccc4nc(C5CC5)sc4c3)c2c1.c1cnc2cc(-c3ccc(N4CCOCC4)nc3)nc(Nc3ccc4nc(C5CC5)sc4c3)c2c1.
What is the InChIKey of 2-cyclopropyl-N-[7-(4-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[2-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[4-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine?
The InChIKey is RHNWHTGKPYYUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6OS.C27H24N6S.2C24H16F3N5S.C24H19N5O2S2/c1-2-20-23(28-9-1)15-22(18-5-8-25(29-16-18)33-10-12-34-13-11-33)31-26(20)30-19-6-7-21-24(14-19)35-27(32-21)17-3-4-17;1-2-13-33(12-1)25-10-7-18(16-29-25)22-15-23-20(4-3-11-28-23)26(31-22)30-19-8-9-21-24(14-19)34-27(32-21)17-5-6-17;25-24(26,27)21-15(3-1-10-29-21)19-12-18-16(4-2-9-28-18)22(31-19)30-14-7-8-17-20(11-14)33-23(32-17)13-5-6-13;25-24(26,27)17-7-9-28-12-16(17)20-11-19-15(2-1-8-29-19)22(31-20)30-14-5-6-18-21(10-14)33-23(32-18)13-3-4-13;1-33(30,31)22-8-10-25-13-17(22)20-12-19-16(3-2-9-26-19)23(28-20)27-15-6-7-18-21(11-15)32-24(29-18)14-4-5-14/h1-2,5-9,14-17H,3-4,10-13H2,(H,30,31);3-4,7-11,14-17H,1-2,5-6,12-13H2,(H,30,31);1-4,7-13H,5-6H2,(H,30,31);1-2,5-13H,3-4H2,(H,30,31);2-3,6-14H,4-5H2,1H3,(H,27,28).
What are the key properties of 2-cyclopropyl-N-[7-(4-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[2-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[4-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine?
2-cyclopropyl-N-[7-(4-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[2-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[4-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine has a molecular weight of 2345.75 g/mol, XLogP of 31.49, 23 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[7-(4-methylsulfonyl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-morpholin-4-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-(6-pyrrolidin-1-yl-3-pyridinyl)-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[2-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine;2-cyclopropyl-N-[7-[4-(trifluoromethyl)-3-pyridinyl]-1,6-naphthyridin-5-yl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 165061611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).