2-[6-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]-N,N-dimethylethanesulfonamide;7-(3-chloro-2-pyridinyl)-N-[3,3-dimethyl-1-(2-methylsulfonylethyl)-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N,N-diethyl-4-[6-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonamide;2-[3,3-dimethyl-6-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2H-indol-1-yl]ethanesulfonamide;N-[1-(3-ethylsulfonylpropyl)-3,3-dimethyl-2H-indol-6-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C134H165Cl2F4N33O12S6 — CID 159084849

IUPAC2-[6-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]-N,N-dimethylethanesulfonamide;7-(3-chloro-2-pyridinyl)-N-[3,3-dimethyl-1-(2-methylsulfonylethyl)-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N,N-diethyl-4-[6-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonamide;2-[3,3-dimethyl-6-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2H-indol-1-yl]ethanesulfonamide;N-[1-(3-ethylsulfonylpropyl)-3,3-dimethyl-2H-indol-6-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCC1(C)CN(CCS(C)(=O)=O)c2cc(Nc3ncnc4c3CCN(c3ncccc3Cl)C4)ccc21.CC1(C)CN(CCS(N)(=O)=O)c2cc(Nc3ncnc4c3CCN(c3ncccc3C(F)(F)F)C4)ccc21.CCN(CC)S(=O)(=O)CCCCN1CC(C)(C)c2ccc(Nc3ncnc4c3CCN(c3ncccc3F)C4)cc21.CCS(=O)(=O)CCCN1CC(C)(C)c2ccc(Nc3ncnc4c3CCN(c3ncccc3S(C)(=O)=O)C4)cc21.CN(C)S(=O)(=O)CCN1CC(C)(C)c2ccc(Nc3ncnc4c3CCN(c3ncccc3Cl)C4)cc21
InChIInChI=1S/C30H40FN7O2S.C28H36N6O4S2.C26H32ClN7O2S.C25H29ClN6O2S.C25H28F3N7O2S/c1-5-38(6-2)41(39,40)17-8-7-15-37-20-30(3,4)24-12-11-22(18-27(24)37)35-28-23-13-16-36(19-26(23)33-21-34-28)29-25(31)10-9-14-32-29;1-5-40(37,38)15-7-13-34-18-28(2,3)22-10-9-20(16-24(22)34)32-26-21-11-14-33(17-23(21)30-19-31-26)27-25(39(4,35)36)8-6-12-29-27;1-26(2)16-34(12-13-37(35,36)32(3)4)23-14-18(7-8-20(23)26)31-24-19-9-11-33(15-22(19)29-17-30-24)25-21(27)6-5-10-28-25;1-25(2)15-32(11-12-35(3,33)34)22-13-17(6-7-19(22)25)30-23-18-8-10-31(14-21(18)28-16-29-23)24-20(26)5-4-9-27-24;1-24(2)14-35(10-11-38(29,36)37)21-12-16(5-6-18(21)24)33-22-17-7-9-34(13-20(17)31-15-32-22)23-19(25(26,27)28)4-3-8-30-23/h9-12,14,18,21H,5-8,13,15-17,19-20H2,1-4H3,(H,33,34,35);6,8-10,12,16,19H,5,7,11,13-15,17-18H2,1-4H3,(H,30,31,32);5-8,10,14,17H,9,11-13,15-16H2,1-4H3,(H,29,30,31);4-7,9,13,16H,8,10-12,14-15H2,1-3H3,(H,28,29,30);3-6,8,12,15H,7,9-11,13-14H2,1-2H3,(H2,29,36,37)(H,31,32,33)
InChIKeyKBHYSSAFQITBIT-UHFFFAOYSA-N
MW2769.31 g/mol
LogP19.75
Rot. Bonds39

About 2-[6-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]-N,N-dimethylethanesulfonamide;7-(3-chloro-2-pyridinyl)-N-[3,3-dimethyl-1-(2-methylsulfonylethyl)-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N,N-diethyl-4-[6-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonamide;2-[3,3-dimethyl-6-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2H-indol-1-yl]ethanesulfonamide;N-[1-(3-ethylsulfonylpropyl)-3,3-dimethyl-2H-indol-6-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

2-[6-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]-N,N-dimethylethanesulfonamide;7-(3-chloro-2-pyridinyl)-N-[3,3-dimethyl-1-(2-methylsulfonylethyl)-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N,N-diethyl-4-[6-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonamide;2-[3,3-dimethyl-6-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2H-indol-1-yl]ethanesulfonamide;N-[1-(3-ethylsulfonylpropyl)-3,3-dimethyl-2H-indol-6-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 159084849) has the molecular formula C134H165Cl2F4N33O12S6 and a molecular weight of 2769.31 g/mol. Its IUPAC name is 2-[6-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]-N,N-dimethylethanesulfonamide;7-(3-chloro-2-pyridinyl)-N-[3,3-dimethyl-1-(2-methylsulfonylethyl)-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N,N-diethyl-4-[6-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonamide;2-[3,3-dimethyl-6-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2H-indol-1-yl]ethanesulfonamide;N-[1-(3-ethylsulfonylpropyl)-3,3-dimethyl-2H-indol-6-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[6-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]-N,N-dimethylethanesulfonamide;7-(3-chloro-2-pyridinyl)-N-[3,3-dimethyl-1-(2-methylsulfonylethyl)-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N,N-diethyl-4-[6-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonamide;2-[3,3-dimethyl-6-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2H-indol-1-yl]ethanesulfonamide;N-[1-(3-ethylsulfonylpropyl)-3,3-dimethyl-2H-indol-6-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID159084849
Molecular FormulaC134H165Cl2F4N33O12S6
Molecular Weight2769.31 g/mol
Exact Mass2766.10
IUPAC Name2-[6-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]-N,N-dimethylethanesulfonamide;7-(3-chloro-2-pyridinyl)-N-[3,3-dimethyl-1-(2-methylsulfonylethyl)-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N,N-diethyl-4-[6-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonamide;2-[3,3-dimethyl-6-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2H-indol-1-yl]ethanesulfonamide;N-[1-(3-ethylsulfonylpropyl)-3,3-dimethyl-2H-indol-6-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCC1(C)CN(CCS(C)(=O)=O)c2cc(Nc3ncnc4c3CCN(c3ncccc3Cl)C4)ccc21.CC1(C)CN(CCS(N)(=O)=O)c2cc(Nc3ncnc4c3CCN(c3ncccc3C(F)(F)F)C4)ccc21.CCN(CC)S(=O)(=O)CCCCN1CC(C)(C)c2ccc(Nc3ncnc4c3CCN(c3ncccc3F)C4)cc21.CCS(=O)(=O)CCCN1CC(C)(C)c2ccc(Nc3ncnc4c3CCN(c3ncccc3S(C)(=O)=O)C4)cc21.CN(C)S(=O)(=O)CCN1CC(C)(C)c2ccc(Nc3ncnc4c3CCN(c3ncccc3Cl)C4)cc21
InChIInChI=1S/C30H40FN7O2S.C28H36N6O4S2.C26H32ClN7O2S.C25H29ClN6O2S.C25H28F3N7O2S/c1-5-38(6-2)41(39,40)17-8-7-15-37-20-30(3,4)24-12-11-22(18-27(24)37)35-28-23-13-16-36(19-26(23)33-21-34-28)29-25(31)10-9-14-32-29;1-5-40(37,38)15-7-13-34-18-28(2,3)22-10-9-20(16-24(22)34)32-26-21-11-14-33(17-23(21)30-19-31-26)27-25(39(4,35)36)8-6-12-29-27;1-26(2)16-34(12-13-37(35,36)32(3)4)23-14-18(7-8-20(23)26)31-24-19-9-11-33(15-22(19)29-17-30-24)25-21(27)6-5-10-28-25;1-25(2)15-32(11-12-35(3,33)34)22-13-17(6-7-19(22)25)30-23-18-8-10-31(14-21(18)28-16-29-23)24-20(26)5-4-9-27-24;1-24(2)14-35(10-11-38(29,36)37)21-12-16(5-6-18(21)24)33-22-17-7-9-34(13-20(17)31-15-32-22)23-19(25(26,27)28)4-3-8-30-23/h9-12,14,18,21H,5-8,13,15-17,19-20H2,1-4H3,(H,33,34,35);6,8-10,12,16,19H,5,7,11,13-15,17-18H2,1-4H3,(H,30,31,32);5-8,10,14,17H,9,11-13,15-16H2,1-4H3,(H,29,30,31);4-7,9,13,16H,8,10-12,14-15H2,1-3H3,(H,28,29,30);3-6,8,12,15H,7,9-11,13-14H2,1-2H3,(H2,29,36,37)(H,31,32,33)
InChIKeyKBHYSSAFQITBIT-UHFFFAOYSA-N
XLogP19.75
TPSA523.24 Ų
H-Bond Donors6
H-Bond Acceptors42
Rotatable Bonds39
Heavy Atoms191
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002769.31
LogP ≤ 519.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze 2-[6-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]-N,N-dimethylethanesulfonamide;7-(3-chloro-2-pyridinyl)-N-[3,3-dimethyl-1-(2-methylsulfonylethyl)-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N,N-diethyl-4-[6-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonamide;2-[3,3-dimethyl-6-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2H-indol-1-yl]ethanesulfonamide;N-[1-(3-ethylsulfonylpropyl)-3,3-dimethyl-2H-indol-6-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]-N,N-dimethylethanesulfonamide;7-(3-chloro-2-pyridinyl)-N-[3,3-dimethyl-1-(2-methylsulfonylethyl)-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N,N-diethyl-4-[6-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonamide;2-[3,3-dimethyl-6-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2H-indol-1-yl]ethanesulfonamide;N-[1-(3-ethylsulfonylpropyl)-3,3-dimethyl-2H-indol-6-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-[6-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]-N,N-dimethylethanesulfonamide;7-(3-chloro-2-pyridinyl)-N-[3,3-dimethyl-1-(2-methylsulfonylethyl)-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N,N-diethyl-4-[6-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonamide;2-[3,3-dimethyl-6-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2H-indol-1-yl]ethanesulfonamide;N-[1-(3-ethylsulfonylpropyl)-3,3-dimethyl-2H-indol-6-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 159084849) is 2-[6-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]-N,N-dimethylethanesulfonamide;7-(3-chloro-2-pyridinyl)-N-[3,3-dimethyl-1-(2-methylsulfonylethyl)-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N,N-diethyl-4-[6-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonamide;2-[3,3-dimethyl-6-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2H-indol-1-yl]ethanesulfonamide;N-[1-(3-ethylsulfonylpropyl)-3,3-dimethyl-2H-indol-6-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[6-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]-N,N-dimethylethanesulfonamide;7-(3-chloro-2-pyridinyl)-N-[3,3-dimethyl-1-(2-methylsulfonylethyl)-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N,N-diethyl-4-[6-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonamide;2-[3,3-dimethyl-6-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2H-indol-1-yl]ethanesulfonamide;N-[1-(3-ethylsulfonylpropyl)-3,3-dimethyl-2H-indol-6-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-[6-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]-N,N-dimethylethanesulfonamide;7-(3-chloro-2-pyridinyl)-N-[3,3-dimethyl-1-(2-methylsulfonylethyl)-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N,N-diethyl-4-[6-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonamide;2-[3,3-dimethyl-6-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2H-indol-1-yl]ethanesulfonamide;N-[1-(3-ethylsulfonylpropyl)-3,3-dimethyl-2H-indol-6-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is CC1(C)CN(CCS(C)(=O)=O)c2cc(Nc3ncnc4c3CCN(c3ncccc3Cl)C4)ccc21.CC1(C)CN(CCS(N)(=O)=O)c2cc(Nc3ncnc4c3CCN(c3ncccc3C(F)(F)F)C4)ccc21.CCN(CC)S(=O)(=O)CCCCN1CC(C)(C)c2ccc(Nc3ncnc4c3CCN(c3ncccc3F)C4)cc21.CCS(=O)(=O)CCCN1CC(C)(C)c2ccc(Nc3ncnc4c3CCN(c3ncccc3S(C)(=O)=O)C4)cc21.CN(C)S(=O)(=O)CCN1CC(C)(C)c2ccc(Nc3ncnc4c3CCN(c3ncccc3Cl)C4)cc21.
What is the InChIKey of 2-[6-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]-N,N-dimethylethanesulfonamide;7-(3-chloro-2-pyridinyl)-N-[3,3-dimethyl-1-(2-methylsulfonylethyl)-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N,N-diethyl-4-[6-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonamide;2-[3,3-dimethyl-6-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2H-indol-1-yl]ethanesulfonamide;N-[1-(3-ethylsulfonylpropyl)-3,3-dimethyl-2H-indol-6-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is KBHYSSAFQITBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40FN7O2S.C28H36N6O4S2.C26H32ClN7O2S.C25H29ClN6O2S.C25H28F3N7O2S/c1-5-38(6-2)41(39,40)17-8-7-15-37-20-30(3,4)24-12-11-22(18-27(24)37)35-28-23-13-16-36(19-26(23)33-21-34-28)29-25(31)10-9-14-32-29;1-5-40(37,38)15-7-13-34-18-28(2,3)22-10-9-20(16-24(22)34)32-26-21-11-14-33(17-23(21)30-19-31-26)27-25(39(4,35)36)8-6-12-29-27;1-26(2)16-34(12-13-37(35,36)32(3)4)23-14-18(7-8-20(23)26)31-24-19-9-11-33(15-22(19)29-17-30-24)25-21(27)6-5-10-28-25;1-25(2)15-32(11-12-35(3,33)34)22-13-17(6-7-19(22)25)30-23-18-8-10-31(14-21(18)28-16-29-23)24-20(26)5-4-9-27-24;1-24(2)14-35(10-11-38(29,36)37)21-12-16(5-6-18(21)24)33-22-17-7-9-34(13-20(17)31-15-32-22)23-19(25(26,27)28)4-3-8-30-23/h9-12,14,18,21H,5-8,13,15-17,19-20H2,1-4H3,(H,33,34,35);6,8-10,12,16,19H,5,7,11,13-15,17-18H2,1-4H3,(H,30,31,32);5-8,10,14,17H,9,11-13,15-16H2,1-4H3,(H,29,30,31);4-7,9,13,16H,8,10-12,14-15H2,1-3H3,(H,28,29,30);3-6,8,12,15H,7,9-11,13-14H2,1-2H3,(H2,29,36,37)(H,31,32,33).
What are the key properties of 2-[6-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]-N,N-dimethylethanesulfonamide;7-(3-chloro-2-pyridinyl)-N-[3,3-dimethyl-1-(2-methylsulfonylethyl)-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N,N-diethyl-4-[6-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonamide;2-[3,3-dimethyl-6-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2H-indol-1-yl]ethanesulfonamide;N-[1-(3-ethylsulfonylpropyl)-3,3-dimethyl-2H-indol-6-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
2-[6-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]-N,N-dimethylethanesulfonamide;7-(3-chloro-2-pyridinyl)-N-[3,3-dimethyl-1-(2-methylsulfonylethyl)-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N,N-diethyl-4-[6-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonamide;2-[3,3-dimethyl-6-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2H-indol-1-yl]ethanesulfonamide;N-[1-(3-ethylsulfonylpropyl)-3,3-dimethyl-2H-indol-6-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 2769.31 g/mol, XLogP of 19.75, 39 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[7-(3-chloro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]-N,N-dimethylethanesulfonamide;7-(3-chloro-2-pyridinyl)-N-[3,3-dimethyl-1-(2-methylsulfonylethyl)-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N,N-diethyl-4-[6-[[7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonamide;2-[3,3-dimethyl-6-[[7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]-2H-indol-1-yl]ethanesulfonamide;N-[1-(3-ethylsulfonylpropyl)-3,3-dimethyl-2H-indol-6-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 159084849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).