7-(3-chloro-2-pyridinyl)-N-[1-[2-(dimethylamino)ethyl]-3,3-dimethyl-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-N-[3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(2-morpholin-4-ylethyl)-2H-indol-6-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(3-piperidin-1-ylpropyl)-2H-indol-6-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(4-pyrrolidin-1-ylbutyl)-2H-indol-6-yl]-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C145H182Cl2F4N36O3S — CID 162045582

IUPAC7-(3-chloro-2-pyridinyl)-N-[1-[2-(dimethylamino)ethyl]-3,3-dimethyl-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-N-[3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(2-morpholin-4-ylethyl)-2H-indol-6-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(3-piperidin-1-ylpropyl)-2H-indol-6-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(4-pyrrolidin-1-ylbutyl)-2H-indol-6-yl]-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCC1(C)CN(CCCCN2CCCC2)c2cc(Nc3ncnc4c3CCN(c3ncccc3F)C4)ccc21.CC1(C)CN(CCCN2CCCCC2)c2cc(Nc3ncnc4c3CCN(c3ncccc3S(C)(=O)=O)C4)ccc21.CC1(C)CN(CCN2CCOCC2)c2cc(Nc3ncnc4c3CCN(c3ncccc3C(F)(F)F)C4)ccc21.CN(C)CCN1CC(C)(C)c2ccc(Nc3ncnc4c3CCN(c3ncccc3Cl)C4)cc21.CN1CCN(CCN2CC(C)(C)c3ccc(Nc4ncnc5c4CCN(c4ncccc4Cl)C5)cc32)CC1
InChIInChI=1S/C31H41N7O2S.C30H38FN7.C29H37ClN8.C29H34F3N7O.C26H32ClN7/c1-31(2)21-38(17-8-16-36-14-5-4-6-15-36)27-19-23(10-11-25(27)31)35-29-24-12-18-37(20-26(24)33-22-34-29)30-28(41(3,39)40)9-7-13-32-30;1-30(2)20-38(16-6-5-15-36-13-3-4-14-36)27-18-22(9-10-24(27)30)35-28-23-11-17-37(19-26(23)33-21-34-28)29-25(31)8-7-12-32-29;1-29(2)19-38(16-15-36-13-11-35(3)12-14-36)26-17-21(6-7-23(26)29)34-27-22-8-10-37(18-25(22)32-20-33-27)28-24(30)5-4-9-31-28;1-28(2)18-39(11-10-37-12-14-40-15-13-37)25-16-20(5-6-22(25)28)36-26-21-7-9-38(17-24(21)34-19-35-26)27-23(29(30,31)32)4-3-8-33-27;1-26(2)16-34(13-12-32(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/h7,9-11,13,19,22H,4-6,8,12,14-18,20-21H2,1-3H3,(H,33,34,35);7-10,12,18,21H,3-6,11,13-17,19-20H2,1-2H3,(H,33,34,35);4-7,9,17,20H,8,10-16,18-19H2,1-3H3,(H,32,33,34);3-6,8,16,19H,7,9-15,17-18H2,1-2H3,(H,34,35,36);5-8,10,14,17H,9,11-13,15-16H2,1-4H3,(H,29,30,31)
InChIKeyYXVNQFJOILGQFF-UHFFFAOYSA-N
MW2656.26 g/mol
LogP23.14
Rot. Bonds34

About 7-(3-chloro-2-pyridinyl)-N-[1-[2-(dimethylamino)ethyl]-3,3-dimethyl-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-N-[3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(2-morpholin-4-ylethyl)-2H-indol-6-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(3-piperidin-1-ylpropyl)-2H-indol-6-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(4-pyrrolidin-1-ylbutyl)-2H-indol-6-yl]-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

7-(3-chloro-2-pyridinyl)-N-[1-[2-(dimethylamino)ethyl]-3,3-dimethyl-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-N-[3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(2-morpholin-4-ylethyl)-2H-indol-6-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(3-piperidin-1-ylpropyl)-2H-indol-6-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(4-pyrrolidin-1-ylbutyl)-2H-indol-6-yl]-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 162045582) has the molecular formula C145H182Cl2F4N36O3S and a molecular weight of 2656.26 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-N-[1-[2-(dimethylamino)ethyl]-3,3-dimethyl-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-N-[3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(2-morpholin-4-ylethyl)-2H-indol-6-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(3-piperidin-1-ylpropyl)-2H-indol-6-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(4-pyrrolidin-1-ylbutyl)-2H-indol-6-yl]-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(3-chloro-2-pyridinyl)-N-[1-[2-(dimethylamino)ethyl]-3,3-dimethyl-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-N-[3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(2-morpholin-4-ylethyl)-2H-indol-6-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(3-piperidin-1-ylpropyl)-2H-indol-6-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(4-pyrrolidin-1-ylbutyl)-2H-indol-6-yl]-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID162045582
Molecular FormulaC145H182Cl2F4N36O3S
Molecular Weight2656.26 g/mol
Exact Mass2653.42
IUPAC Name7-(3-chloro-2-pyridinyl)-N-[1-[2-(dimethylamino)ethyl]-3,3-dimethyl-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-N-[3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(2-morpholin-4-ylethyl)-2H-indol-6-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(3-piperidin-1-ylpropyl)-2H-indol-6-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(4-pyrrolidin-1-ylbutyl)-2H-indol-6-yl]-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCC1(C)CN(CCCCN2CCCC2)c2cc(Nc3ncnc4c3CCN(c3ncccc3F)C4)ccc21.CC1(C)CN(CCCN2CCCCC2)c2cc(Nc3ncnc4c3CCN(c3ncccc3S(C)(=O)=O)C4)ccc21.CC1(C)CN(CCN2CCOCC2)c2cc(Nc3ncnc4c3CCN(c3ncccc3C(F)(F)F)C4)ccc21.CN(C)CCN1CC(C)(C)c2ccc(Nc3ncnc4c3CCN(c3ncccc3Cl)C4)cc21.CN1CCN(CCN2CC(C)(C)c3ccc(Nc4ncnc5c4CCN(c4ncccc4Cl)C5)cc32)CC1
InChIInChI=1S/C31H41N7O2S.C30H38FN7.C29H37ClN8.C29H34F3N7O.C26H32ClN7/c1-31(2)21-38(17-8-16-36-14-5-4-6-15-36)27-19-23(10-11-25(27)31)35-29-24-12-18-37(20-26(24)33-22-34-29)30-28(41(3,39)40)9-7-13-32-30;1-30(2)20-38(16-6-5-15-36-13-3-4-14-36)27-18-22(9-10-24(27)30)35-28-23-11-17-37(19-26(23)33-21-34-28)29-25(31)8-7-12-32-29;1-29(2)19-38(16-15-36-13-11-35(3)12-14-36)26-17-21(6-7-23(26)29)34-27-22-8-10-37(18-25(22)32-20-33-27)28-24(30)5-4-9-31-28;1-28(2)18-39(11-10-37-12-14-40-15-13-37)25-16-20(5-6-22(25)28)36-26-21-7-9-38(17-24(21)34-19-35-26)27-23(29(30,31)32)4-3-8-33-27;1-26(2)16-34(13-12-32(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/h7,9-11,13,19,22H,4-6,8,12,14-18,20-21H2,1-3H3,(H,33,34,35);7-10,12,18,21H,3-6,11,13-17,19-20H2,1-2H3,(H,33,34,35);4-7,9,17,20H,8,10-16,18-19H2,1-3H3,(H,32,33,34);3-6,8,16,19H,7,9-15,17-18H2,1-2H3,(H,34,35,36);5-8,10,14,17H,9,11-13,15-16H2,1-4H3,(H,29,30,31)
InChIKeyYXVNQFJOILGQFF-UHFFFAOYSA-N
XLogP23.14
TPSA348.71 Ų
H-Bond Donors5
H-Bond Acceptors39
Rotatable Bonds34
Heavy Atoms191
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002656.26
LogP ≤ 523.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

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

Analyze 7-(3-chloro-2-pyridinyl)-N-[1-[2-(dimethylamino)ethyl]-3,3-dimethyl-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-N-[3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(2-morpholin-4-ylethyl)-2H-indol-6-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(3-piperidin-1-ylpropyl)-2H-indol-6-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(4-pyrrolidin-1-ylbutyl)-2H-indol-6-yl]-7-(3-fluoro-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 7-(3-chloro-2-pyridinyl)-N-[1-[2-(dimethylamino)ethyl]-3,3-dimethyl-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-N-[3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(2-morpholin-4-ylethyl)-2H-indol-6-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(3-piperidin-1-ylpropyl)-2H-indol-6-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(4-pyrrolidin-1-ylbutyl)-2H-indol-6-yl]-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 7-(3-chloro-2-pyridinyl)-N-[1-[2-(dimethylamino)ethyl]-3,3-dimethyl-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-N-[3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(2-morpholin-4-ylethyl)-2H-indol-6-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(3-piperidin-1-ylpropyl)-2H-indol-6-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(4-pyrrolidin-1-ylbutyl)-2H-indol-6-yl]-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 162045582) is 7-(3-chloro-2-pyridinyl)-N-[1-[2-(dimethylamino)ethyl]-3,3-dimethyl-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-N-[3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(2-morpholin-4-ylethyl)-2H-indol-6-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(3-piperidin-1-ylpropyl)-2H-indol-6-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(4-pyrrolidin-1-ylbutyl)-2H-indol-6-yl]-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-N-[1-[2-(dimethylamino)ethyl]-3,3-dimethyl-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-N-[3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(2-morpholin-4-ylethyl)-2H-indol-6-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(3-piperidin-1-ylpropyl)-2H-indol-6-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(4-pyrrolidin-1-ylbutyl)-2H-indol-6-yl]-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 7-(3-chloro-2-pyridinyl)-N-[1-[2-(dimethylamino)ethyl]-3,3-dimethyl-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-N-[3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(2-morpholin-4-ylethyl)-2H-indol-6-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(3-piperidin-1-ylpropyl)-2H-indol-6-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(4-pyrrolidin-1-ylbutyl)-2H-indol-6-yl]-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is CC1(C)CN(CCCCN2CCCC2)c2cc(Nc3ncnc4c3CCN(c3ncccc3F)C4)ccc21.CC1(C)CN(CCCN2CCCCC2)c2cc(Nc3ncnc4c3CCN(c3ncccc3S(C)(=O)=O)C4)ccc21.CC1(C)CN(CCN2CCOCC2)c2cc(Nc3ncnc4c3CCN(c3ncccc3C(F)(F)F)C4)ccc21.CN(C)CCN1CC(C)(C)c2ccc(Nc3ncnc4c3CCN(c3ncccc3Cl)C4)cc21.CN1CCN(CCN2CC(C)(C)c3ccc(Nc4ncnc5c4CCN(c4ncccc4Cl)C5)cc32)CC1.
What is the InChIKey of 7-(3-chloro-2-pyridinyl)-N-[1-[2-(dimethylamino)ethyl]-3,3-dimethyl-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-N-[3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(2-morpholin-4-ylethyl)-2H-indol-6-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(3-piperidin-1-ylpropyl)-2H-indol-6-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(4-pyrrolidin-1-ylbutyl)-2H-indol-6-yl]-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is YXVNQFJOILGQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N7O2S.C30H38FN7.C29H37ClN8.C29H34F3N7O.C26H32ClN7/c1-31(2)21-38(17-8-16-36-14-5-4-6-15-36)27-19-23(10-11-25(27)31)35-29-24-12-18-37(20-26(24)33-22-34-29)30-28(41(3,39)40)9-7-13-32-30;1-30(2)20-38(16-6-5-15-36-13-3-4-14-36)27-18-22(9-10-24(27)30)35-28-23-11-17-37(19-26(23)33-21-34-28)29-25(31)8-7-12-32-29;1-29(2)19-38(16-15-36-13-11-35(3)12-14-36)26-17-21(6-7-23(26)29)34-27-22-8-10-37(18-25(22)32-20-33-27)28-24(30)5-4-9-31-28;1-28(2)18-39(11-10-37-12-14-40-15-13-37)25-16-20(5-6-22(25)28)36-26-21-7-9-38(17-24(21)34-19-35-26)27-23(29(30,31)32)4-3-8-33-27;1-26(2)16-34(13-12-32(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/h7,9-11,13,19,22H,4-6,8,12,14-18,20-21H2,1-3H3,(H,33,34,35);7-10,12,18,21H,3-6,11,13-17,19-20H2,1-2H3,(H,33,34,35);4-7,9,17,20H,8,10-16,18-19H2,1-3H3,(H,32,33,34);3-6,8,16,19H,7,9-15,17-18H2,1-2H3,(H,34,35,36);5-8,10,14,17H,9,11-13,15-16H2,1-4H3,(H,29,30,31).
What are the key properties of 7-(3-chloro-2-pyridinyl)-N-[1-[2-(dimethylamino)ethyl]-3,3-dimethyl-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-N-[3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(2-morpholin-4-ylethyl)-2H-indol-6-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(3-piperidin-1-ylpropyl)-2H-indol-6-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(4-pyrrolidin-1-ylbutyl)-2H-indol-6-yl]-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
7-(3-chloro-2-pyridinyl)-N-[1-[2-(dimethylamino)ethyl]-3,3-dimethyl-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-N-[3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(2-morpholin-4-ylethyl)-2H-indol-6-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(3-piperidin-1-ylpropyl)-2H-indol-6-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(4-pyrrolidin-1-ylbutyl)-2H-indol-6-yl]-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 2656.26 g/mol, XLogP of 23.14, 34 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-2-pyridinyl)-N-[1-[2-(dimethylamino)ethyl]-3,3-dimethyl-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;7-(3-chloro-2-pyridinyl)-N-[3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-indol-6-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(2-morpholin-4-ylethyl)-2H-indol-6-yl]-7-[3-(trifluoromethyl)-2-pyridinyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(3-piperidin-1-ylpropyl)-2H-indol-6-yl]-7-(3-methylsulfonyl-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine;N-[3,3-dimethyl-1-(4-pyrrolidin-1-ylbutyl)-2H-indol-6-yl]-7-(3-fluoro-2-pyridinyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 162045582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).