2-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-2,3-dihydroquinolin-1-yl]-N,N-dimethylethanesulfonamide;N-(4,4-dimethyl-1-methylsulfonyl-2,3-dihydroquinolin-7-yl)-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[4,4-dimethyl-1-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6-(3-fluoro-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;3-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;N-[1-(4-ethylsulfonylbutyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]-6-(3-methylsulfonyl-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine

C139H171ClF5N31O12S6 — CID 161374390

IUPAC2-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-2,3-dihydroquinolin-1-yl]-N,N-dimethylethanesulfonamide;N-(4,4-dimethyl-1-methylsulfonyl-2,3-dihydroquinolin-7-yl)-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[4,4-dimethyl-1-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6-(3-fluoro-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;3-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;N-[1-(4-ethylsulfonylbutyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]-6-(3-methylsulfonyl-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine
SMILESCC1(C)CCN(CCCS(N)(=O)=O)c2cc(Nc3ncnc4c3CCN(c3ncccc3C(F)(F)F)C4)ccc21.CC1(C)CCN(CCS(=O)(=O)N2CCCC2)c2cc(Nc3nccc4c3CCN(c3ncccc3F)C4)ccc21.CC1(C)CCN(S(C)(=O)=O)c2cc(Nc3ncnc4c3CCN(c3ncccc3F)C4)ccc21.CCS(=O)(=O)CCCCN1CCC(C)(C)c2ccc(Nc3nccc4c3CCN(c3ncccc3S(C)(=O)=O)C4)cc21.CN(C)S(=O)(=O)CCN1CCC(C)(C)c2ccc(Nc3ncnc4c3CCN(c3ncccc3Cl)C4)cc21
InChIInChI=1S/C31H41N5O4S2.C30H37FN6O2S.C27H34ClN7O2S.C27H32F3N7O2S.C24H27FN6O2S/c1-5-42(39,40)20-7-6-17-35-19-14-31(2,3)26-11-10-24(21-27(26)35)34-29-25-13-18-36(22-23(25)12-16-32-29)30-28(41(4,37)38)9-8-15-33-30;1-30(2)11-17-35(18-19-40(38,39)37-14-3-4-15-37)27-20-23(7-8-25(27)30)34-28-24-10-16-36(21-22(24)9-13-32-28)29-26(31)6-5-12-33-29;1-27(2)10-13-34(14-15-38(36,37)33(3)4)24-16-19(7-8-21(24)27)32-25-20-9-12-35(17-23(20)30-18-31-25)26-22(28)6-5-11-29-26;1-26(2)9-13-36(11-4-14-40(31,38)39)23-15-18(6-7-20(23)26)35-24-19-8-12-37(16-22(19)33-17-34-24)25-21(27(28,29)30)5-3-10-32-25;1-24(2)9-12-31(34(3,32)33)21-13-16(6-7-18(21)24)29-22-17-8-11-30(14-20(17)27-15-28-22)23-19(25)5-4-10-26-23/h8-12,15-16,21H,5-7,13-14,17-20,22H2,1-4H3,(H,32,34);5-9,12-13,20H,3-4,10-11,14-19,21H2,1-2H3,(H,32,34);5-8,11,16,18H,9-10,12-15,17H2,1-4H3,(H,30,31,32);3,5-7,10,15,17H,4,8-9,11-14,16H2,1-2H3,(H2,31,38,39)(H,33,34,35);4-7,10,13,15H,8-9,11-12,14H2,1-3H3,(H,27,28,29)
InChIKeyVQWPTKVPAQGOKI-UHFFFAOYSA-N
MW2790.95 g/mol
LogP22.06
Rot. Bonds35

About 2-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-2,3-dihydroquinolin-1-yl]-N,N-dimethylethanesulfonamide;N-(4,4-dimethyl-1-methylsulfonyl-2,3-dihydroquinolin-7-yl)-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[4,4-dimethyl-1-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6-(3-fluoro-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;3-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;N-[1-(4-ethylsulfonylbutyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]-6-(3-methylsulfonyl-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine

2-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-2,3-dihydroquinolin-1-yl]-N,N-dimethylethanesulfonamide;N-(4,4-dimethyl-1-methylsulfonyl-2,3-dihydroquinolin-7-yl)-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[4,4-dimethyl-1-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6-(3-fluoro-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;3-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;N-[1-(4-ethylsulfonylbutyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]-6-(3-methylsulfonyl-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine (PubChem CID 161374390) has the molecular formula C139H171ClF5N31O12S6 and a molecular weight of 2790.95 g/mol. Its IUPAC name is 2-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-2,3-dihydroquinolin-1-yl]-N,N-dimethylethanesulfonamide;N-(4,4-dimethyl-1-methylsulfonyl-2,3-dihydroquinolin-7-yl)-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[4,4-dimethyl-1-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6-(3-fluoro-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;3-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;N-[1-(4-ethylsulfonylbutyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]-6-(3-methylsulfonyl-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine.

Molecular Properties

Compound Name2-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-2,3-dihydroquinolin-1-yl]-N,N-dimethylethanesulfonamide;N-(4,4-dimethyl-1-methylsulfonyl-2,3-dihydroquinolin-7-yl)-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[4,4-dimethyl-1-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6-(3-fluoro-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;3-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;N-[1-(4-ethylsulfonylbutyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]-6-(3-methylsulfonyl-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine
PubChem CID161374390
Molecular FormulaC139H171ClF5N31O12S6
Molecular Weight2790.95 g/mol
Exact Mass2788.17
IUPAC Name2-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-2,3-dihydroquinolin-1-yl]-N,N-dimethylethanesulfonamide;N-(4,4-dimethyl-1-methylsulfonyl-2,3-dihydroquinolin-7-yl)-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[4,4-dimethyl-1-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6-(3-fluoro-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;3-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;N-[1-(4-ethylsulfonylbutyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]-6-(3-methylsulfonyl-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine
SMILESCC1(C)CCN(CCCS(N)(=O)=O)c2cc(Nc3ncnc4c3CCN(c3ncccc3C(F)(F)F)C4)ccc21.CC1(C)CCN(CCS(=O)(=O)N2CCCC2)c2cc(Nc3nccc4c3CCN(c3ncccc3F)C4)ccc21.CC1(C)CCN(S(C)(=O)=O)c2cc(Nc3ncnc4c3CCN(c3ncccc3F)C4)ccc21.CCS(=O)(=O)CCCCN1CCC(C)(C)c2ccc(Nc3nccc4c3CCN(c3ncccc3S(C)(=O)=O)C4)cc21.CN(C)S(=O)(=O)CCN1CCC(C)(C)c2ccc(Nc3ncnc4c3CCN(c3ncccc3Cl)C4)cc21
InChIInChI=1S/C31H41N5O4S2.C30H37FN6O2S.C27H34ClN7O2S.C27H32F3N7O2S.C24H27FN6O2S/c1-5-42(39,40)20-7-6-17-35-19-14-31(2,3)26-11-10-24(21-27(26)35)34-29-25-13-18-36(22-23(25)12-16-32-29)30-28(41(4,37)38)9-8-15-33-30;1-30(2)11-17-35(18-19-40(38,39)37-14-3-4-15-37)27-20-23(7-8-25(27)30)34-28-24-10-16-36(21-22(24)9-13-32-28)29-26(31)6-5-12-33-29;1-27(2)10-13-34(14-15-38(36,37)33(3)4)24-16-19(7-8-21(24)27)32-25-20-9-12-35(17-23(20)30-18-31-25)26-22(28)6-5-11-29-26;1-26(2)9-13-36(11-4-14-40(31,38)39)23-15-18(6-7-20(23)26)35-24-19-8-12-37(16-22(19)33-17-34-24)25-21(27(28,29)30)5-3-10-32-25;1-24(2)9-12-31(34(3,32)33)21-13-16(6-7-18(21)24)29-22-17-8-11-30(14-20(17)27-15-28-22)23-19(25)5-4-10-26-23/h8-12,15-16,21H,5-7,13-14,17-20,22H2,1-4H3,(H,32,34);5-9,12-13,20H,3-4,10-11,14-19,21H2,1-2H3,(H,32,34);5-8,11,16,18H,9-10,12-15,17H2,1-4H3,(H,30,31,32);3,5-7,10,15,17H,4,8-9,11-14,16H2,1-2H3,(H2,31,38,39)(H,33,34,35);4-7,10,13,15H,8-9,11-12,14H2,1-3H3,(H,27,28,29)
InChIKeyVQWPTKVPAQGOKI-UHFFFAOYSA-N
XLogP22.06
TPSA497.46 Ų
H-Bond Donors6
H-Bond Acceptors39
Rotatable Bonds35
Heavy Atoms194
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002790.95
LogP ≤ 522.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-2,3-dihydroquinolin-1-yl]-N,N-dimethylethanesulfonamide;N-(4,4-dimethyl-1-methylsulfonyl-2,3-dihydroquinolin-7-yl)-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[4,4-dimethyl-1-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6-(3-fluoro-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;3-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;N-[1-(4-ethylsulfonylbutyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]-6-(3-methylsulfonyl-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-2,3-dihydroquinolin-1-yl]-N,N-dimethylethanesulfonamide;N-(4,4-dimethyl-1-methylsulfonyl-2,3-dihydroquinolin-7-yl)-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[4,4-dimethyl-1-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6-(3-fluoro-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;3-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;N-[1-(4-ethylsulfonylbutyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]-6-(3-methylsulfonyl-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The IUPAC name of 2-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-2,3-dihydroquinolin-1-yl]-N,N-dimethylethanesulfonamide;N-(4,4-dimethyl-1-methylsulfonyl-2,3-dihydroquinolin-7-yl)-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[4,4-dimethyl-1-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6-(3-fluoro-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;3-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;N-[1-(4-ethylsulfonylbutyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]-6-(3-methylsulfonyl-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine (CID 161374390) is 2-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-2,3-dihydroquinolin-1-yl]-N,N-dimethylethanesulfonamide;N-(4,4-dimethyl-1-methylsulfonyl-2,3-dihydroquinolin-7-yl)-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[4,4-dimethyl-1-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6-(3-fluoro-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;3-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;N-[1-(4-ethylsulfonylbutyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]-6-(3-methylsulfonyl-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine.
What is the SMILES notation for 2-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-2,3-dihydroquinolin-1-yl]-N,N-dimethylethanesulfonamide;N-(4,4-dimethyl-1-methylsulfonyl-2,3-dihydroquinolin-7-yl)-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[4,4-dimethyl-1-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6-(3-fluoro-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;3-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;N-[1-(4-ethylsulfonylbutyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]-6-(3-methylsulfonyl-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The canonical SMILES for 2-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-2,3-dihydroquinolin-1-yl]-N,N-dimethylethanesulfonamide;N-(4,4-dimethyl-1-methylsulfonyl-2,3-dihydroquinolin-7-yl)-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[4,4-dimethyl-1-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6-(3-fluoro-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;3-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;N-[1-(4-ethylsulfonylbutyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]-6-(3-methylsulfonyl-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine is CC1(C)CCN(CCCS(N)(=O)=O)c2cc(Nc3ncnc4c3CCN(c3ncccc3C(F)(F)F)C4)ccc21.CC1(C)CCN(CCS(=O)(=O)N2CCCC2)c2cc(Nc3nccc4c3CCN(c3ncccc3F)C4)ccc21.CC1(C)CCN(S(C)(=O)=O)c2cc(Nc3ncnc4c3CCN(c3ncccc3F)C4)ccc21.CCS(=O)(=O)CCCCN1CCC(C)(C)c2ccc(Nc3nccc4c3CCN(c3ncccc3S(C)(=O)=O)C4)cc21.CN(C)S(=O)(=O)CCN1CCC(C)(C)c2ccc(Nc3ncnc4c3CCN(c3ncccc3Cl)C4)cc21.
What is the InChIKey of 2-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-2,3-dihydroquinolin-1-yl]-N,N-dimethylethanesulfonamide;N-(4,4-dimethyl-1-methylsulfonyl-2,3-dihydroquinolin-7-yl)-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[4,4-dimethyl-1-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6-(3-fluoro-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;3-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;N-[1-(4-ethylsulfonylbutyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]-6-(3-methylsulfonyl-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The InChIKey is VQWPTKVPAQGOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N5O4S2.C30H37FN6O2S.C27H34ClN7O2S.C27H32F3N7O2S.C24H27FN6O2S/c1-5-42(39,40)20-7-6-17-35-19-14-31(2,3)26-11-10-24(21-27(26)35)34-29-25-13-18-36(22-23(25)12-16-32-29)30-28(41(4,37)38)9-8-15-33-30;1-30(2)11-17-35(18-19-40(38,39)37-14-3-4-15-37)27-20-23(7-8-25(27)30)34-28-24-10-16-36(21-22(24)9-13-32-28)29-26(31)6-5-12-33-29;1-27(2)10-13-34(14-15-38(36,37)33(3)4)24-16-19(7-8-21(24)27)32-25-20-9-12-35(17-23(20)30-18-31-25)26-22(28)6-5-11-29-26;1-26(2)9-13-36(11-4-14-40(31,38)39)23-15-18(6-7-20(23)26)35-24-19-8-12-37(16-22(19)33-17-34-24)25-21(27(28,29)30)5-3-10-32-25;1-24(2)9-12-31(34(3,32)33)21-13-16(6-7-18(21)24)29-22-17-8-11-30(14-20(17)27-15-28-22)23-19(25)5-4-10-26-23/h8-12,15-16,21H,5-7,13-14,17-20,22H2,1-4H3,(H,32,34);5-9,12-13,20H,3-4,10-11,14-19,21H2,1-2H3,(H,32,34);5-8,11,16,18H,9-10,12-15,17H2,1-4H3,(H,30,31,32);3,5-7,10,15,17H,4,8-9,11-14,16H2,1-2H3,(H2,31,38,39)(H,33,34,35);4-7,10,13,15H,8-9,11-12,14H2,1-3H3,(H,27,28,29).
What are the key properties of 2-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-2,3-dihydroquinolin-1-yl]-N,N-dimethylethanesulfonamide;N-(4,4-dimethyl-1-methylsulfonyl-2,3-dihydroquinolin-7-yl)-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[4,4-dimethyl-1-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6-(3-fluoro-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;3-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;N-[1-(4-ethylsulfonylbutyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]-6-(3-methylsulfonyl-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
2-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-2,3-dihydroquinolin-1-yl]-N,N-dimethylethanesulfonamide;N-(4,4-dimethyl-1-methylsulfonyl-2,3-dihydroquinolin-7-yl)-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[4,4-dimethyl-1-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6-(3-fluoro-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;3-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;N-[1-(4-ethylsulfonylbutyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]-6-(3-methylsulfonyl-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine has a molecular weight of 2790.95 g/mol, XLogP of 22.06, 35 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-4,4-dimethyl-2,3-dihydroquinolin-1-yl]-N,N-dimethylethanesulfonamide;N-(4,4-dimethyl-1-methylsulfonyl-2,3-dihydroquinolin-7-yl)-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[4,4-dimethyl-1-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydroquinolin-7-yl]-6-(3-fluoro-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine;3-[4,4-dimethyl-7-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2,3-dihydroquinolin-1-yl]propane-1-sulfonamide;N-[1-(4-ethylsulfonylbutyl)-4,4-dimethyl-2,3-dihydroquinolin-7-yl]-6-(3-methylsulfonyl-2-pyridinyl)-7,8-dihydro-5H-2,6-naphthyridin-1-amine is sourced from PubChem (CID 161374390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).