10-(2-chloropyrimidin-4-yl)-7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indole;4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;N-[5-[[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;prop-2-enoyl chloride

C142H154Cl2F12N32O13 — CID 159877227

IUPAC10-(2-chloropyrimidin-4-yl)-7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indole;4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;N-[5-[[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;prop-2-enoyl chloride
SMILESC=CC(=O)Cl.C=CC(=O)Nc1cc(Nc2nccc(-c3c4n(c5ccccc35)CC(F)(F)CC4)n2)c(OC)cc1N(C)CCN(C)C.CCCCN(C)C.COc1cc(F)c([N+](=O)[O-])cc1N.COc1cc(F)c([N+](=O)[O-])cc1Nc1nccc(-c2c3n(c4ccccc24)CC(F)(F)CC3)n1.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1nccc(-c2c3n(c4ccccc24)CC(F)(F)CC3)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1nccc(-c2c3n(c4ccccc24)CC(F)(F)CC3)n1.FC1(F)CCc2c(-c3ccnc(Cl)n3)c3ccccc3n2C1
InChIInChI=1S/C31H35F2N7O2.C28H31F2N7O3.C28H33F2N7O.C23H18F3N5O3.C16H12ClF2N3.C7H7FN2O3.C6H15N.C3H3ClO/c1-6-28(41)35-22-17-23(27(42-5)18-26(22)39(4)16-15-38(2)3)37-30-34-14-12-21(36-30)29-20-9-7-8-10-24(20)40-19-31(32,33)13-11-25(29)40;1-34(2)13-14-35(3)23-16-25(40-4)20(15-24(23)37(38)39)33-27-31-12-10-19(32-27)26-18-7-5-6-8-21(18)36-17-28(29,30)11-9-22(26)36;1-35(2)13-14-36(3)24-16-25(38-4)21(15-19(24)31)34-27-32-12-10-20(33-27)26-18-7-5-6-8-22(18)37-17-28(29,30)11-9-23(26)37;1-34-20-10-14(24)19(31(32)33)11-16(20)29-22-27-9-7-15(28-22)21-13-4-2-3-5-17(13)30-12-23(25,26)8-6-18(21)30;17-15-20-8-6-11(21-15)14-10-3-1-2-4-12(10)22-9-16(18,19)7-5-13(14)22;1-13-7-2-4(8)6(10(11)12)3-5(7)9;1-4-5-6-7(2)3;1-2-3(4)5/h6-10,12,14,17-18H,1,11,13,15-16,19H2,2-5H3,(H,35,41)(H,34,36,37);5-8,10,12,15-16H,9,11,13-14,17H2,1-4H3,(H,31,32,33);5-8,10,12,15-16H,9,11,13-14,17,31H2,1-4H3,(H,32,33,34);2-5,7,9-11H,6,8,12H2,1H3,(H,27,28,29);1-4,6,8H,5,7,9H2;2-3H,9H2,1H3;4-6H2,1-3H3;2H,1H2
InChIKeyNTBFTSZLMLRFSR-UHFFFAOYSA-N
MW2815.89 g/mol
LogP29.33
Rot. Bonds39

About 10-(2-chloropyrimidin-4-yl)-7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indole;4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;N-[5-[[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;prop-2-enoyl chloride

10-(2-chloropyrimidin-4-yl)-7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indole;4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;N-[5-[[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;prop-2-enoyl chloride (PubChem CID 159877227) has the molecular formula C142H154Cl2F12N32O13 and a molecular weight of 2815.89 g/mol. Its IUPAC name is 10-(2-chloropyrimidin-4-yl)-7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indole;4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;N-[5-[[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;prop-2-enoyl chloride.

Molecular Properties

Compound Name10-(2-chloropyrimidin-4-yl)-7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indole;4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;N-[5-[[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;prop-2-enoyl chloride
PubChem CID159877227
Molecular FormulaC142H154Cl2F12N32O13
Molecular Weight2815.89 g/mol
Exact Mass2813.16
IUPAC Name10-(2-chloropyrimidin-4-yl)-7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indole;4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;N-[5-[[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;prop-2-enoyl chloride
SMILESC=CC(=O)Cl.C=CC(=O)Nc1cc(Nc2nccc(-c3c4n(c5ccccc35)CC(F)(F)CC4)n2)c(OC)cc1N(C)CCN(C)C.CCCCN(C)C.COc1cc(F)c([N+](=O)[O-])cc1N.COc1cc(F)c([N+](=O)[O-])cc1Nc1nccc(-c2c3n(c4ccccc24)CC(F)(F)CC3)n1.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1nccc(-c2c3n(c4ccccc24)CC(F)(F)CC3)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1nccc(-c2c3n(c4ccccc24)CC(F)(F)CC3)n1.FC1(F)CCc2c(-c3ccnc(Cl)n3)c3ccccc3n2C1
InChIInChI=1S/C31H35F2N7O2.C28H31F2N7O3.C28H33F2N7O.C23H18F3N5O3.C16H12ClF2N3.C7H7FN2O3.C6H15N.C3H3ClO/c1-6-28(41)35-22-17-23(27(42-5)18-26(22)39(4)16-15-38(2)3)37-30-34-14-12-21(36-30)29-20-9-7-8-10-24(20)40-19-31(32,33)13-11-25(29)40;1-34(2)13-14-35(3)23-16-25(40-4)20(15-24(23)37(38)39)33-27-31-12-10-19(32-27)26-18-7-5-6-8-21(18)36-17-28(29,30)11-9-22(26)36;1-35(2)13-14-36(3)24-16-25(38-4)21(15-19(24)31)34-27-32-12-10-20(33-27)26-18-7-5-6-8-22(18)37-17-28(29,30)11-9-23(26)37;1-34-20-10-14(24)19(31(32)33)11-16(20)29-22-27-9-7-15(28-22)21-13-4-2-3-5-17(13)30-12-23(25,26)8-6-18(21)30;17-15-20-8-6-11(21-15)14-10-3-1-2-4-12(10)22-9-16(18,19)7-5-13(14)22;1-13-7-2-4(8)6(10(11)12)3-5(7)9;1-4-5-6-7(2)3;1-2-3(4)5/h6-10,12,14,17-18H,1,11,13,15-16,19H2,2-5H3,(H,35,41)(H,34,36,37);5-8,10,12,15-16H,9,11,13-14,17H2,1-4H3,(H,31,32,33);5-8,10,12,15-16H,9,11,13-14,17,31H2,1-4H3,(H,32,33,34);2-5,7,9-11H,6,8,12H2,1H3,(H,27,28,29);1-4,6,8H,5,7,9H2;2-3H,9H2,1H3;4-6H2,1-3H3;2H,1H2
InChIKeyNTBFTSZLMLRFSR-UHFFFAOYSA-N
XLogP29.33
TPSA498.13 Ų
H-Bond Donors7
H-Bond Acceptors41
Rotatable Bonds39
Heavy Atoms201
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002815.89
LogP ≤ 529.33
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 10-(2-chloropyrimidin-4-yl)-7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indole;4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;N-[5-[[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;prop-2-enoyl chloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(2-chloropyrimidin-4-yl)-7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indole;4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;N-[5-[[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;prop-2-enoyl chloride?
The IUPAC name of 10-(2-chloropyrimidin-4-yl)-7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indole;4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;N-[5-[[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;prop-2-enoyl chloride (CID 159877227) is 10-(2-chloropyrimidin-4-yl)-7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indole;4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;N-[5-[[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;prop-2-enoyl chloride.
What is the SMILES notation for 10-(2-chloropyrimidin-4-yl)-7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indole;4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;N-[5-[[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;prop-2-enoyl chloride?
The canonical SMILES for 10-(2-chloropyrimidin-4-yl)-7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indole;4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;N-[5-[[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)Nc1cc(Nc2nccc(-c3c4n(c5ccccc35)CC(F)(F)CC4)n2)c(OC)cc1N(C)CCN(C)C.CCCCN(C)C.COc1cc(F)c([N+](=O)[O-])cc1N.COc1cc(F)c([N+](=O)[O-])cc1Nc1nccc(-c2c3n(c4ccccc24)CC(F)(F)CC3)n1.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1nccc(-c2c3n(c4ccccc24)CC(F)(F)CC3)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1nccc(-c2c3n(c4ccccc24)CC(F)(F)CC3)n1.FC1(F)CCc2c(-c3ccnc(Cl)n3)c3ccccc3n2C1.
What is the InChIKey of 10-(2-chloropyrimidin-4-yl)-7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indole;4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;N-[5-[[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;prop-2-enoyl chloride?
The InChIKey is NTBFTSZLMLRFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35F2N7O2.C28H31F2N7O3.C28H33F2N7O.C23H18F3N5O3.C16H12ClF2N3.C7H7FN2O3.C6H15N.C3H3ClO/c1-6-28(41)35-22-17-23(27(42-5)18-26(22)39(4)16-15-38(2)3)37-30-34-14-12-21(36-30)29-20-9-7-8-10-24(20)40-19-31(32,33)13-11-25(29)40;1-34(2)13-14-35(3)23-16-25(40-4)20(15-24(23)37(38)39)33-27-31-12-10-19(32-27)26-18-7-5-6-8-21(18)36-17-28(29,30)11-9-22(26)36;1-35(2)13-14-36(3)24-16-25(38-4)21(15-19(24)31)34-27-32-12-10-20(33-27)26-18-7-5-6-8-22(18)37-17-28(29,30)11-9-23(26)37;1-34-20-10-14(24)19(31(32)33)11-16(20)29-22-27-9-7-15(28-22)21-13-4-2-3-5-17(13)30-12-23(25,26)8-6-18(21)30;17-15-20-8-6-11(21-15)14-10-3-1-2-4-12(10)22-9-16(18,19)7-5-13(14)22;1-13-7-2-4(8)6(10(11)12)3-5(7)9;1-4-5-6-7(2)3;1-2-3(4)5/h6-10,12,14,17-18H,1,11,13,15-16,19H2,2-5H3,(H,35,41)(H,34,36,37);5-8,10,12,15-16H,9,11,13-14,17H2,1-4H3,(H,31,32,33);5-8,10,12,15-16H,9,11,13-14,17,31H2,1-4H3,(H,32,33,34);2-5,7,9-11H,6,8,12H2,1H3,(H,27,28,29);1-4,6,8H,5,7,9H2;2-3H,9H2,1H3;4-6H2,1-3H3;2H,1H2.
What are the key properties of 10-(2-chloropyrimidin-4-yl)-7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indole;4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;N-[5-[[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;prop-2-enoyl chloride?
10-(2-chloropyrimidin-4-yl)-7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indole;4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;N-[5-[[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;prop-2-enoyl chloride has a molecular weight of 2815.89 g/mol, XLogP of 29.33, 39 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-chloropyrimidin-4-yl)-7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indole;4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)-N-(4-fluoro-2-methoxy-5-nitrophenyl)pyrimidin-2-amine;N-[5-[[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-[4-(7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;4-fluoro-2-methoxy-5-nitroaniline;prop-2-enoyl chloride is sourced from PubChem (CID 159877227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).