2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-indole-7,4'-piperidine]-4-one;5-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide;(2S,3R,4R,6R)-2,3-dimethyl-4-(methylamino)-29-oxa-1,7-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;(15R)-15-methyl-5-(6-methyl-3-pyridinyl)-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one

C163H143ClFN23O12S — CID 159226719

IUPAC2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-indole-7,4'-piperidine]-4-one;5-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide;(2S,3R,4R,6R)-2,3-dimethyl-4-(methylamino)-29-oxa-1,7-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;(15R)-15-methyl-5-(6-methyl-3-pyridinyl)-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one
SMILESCCCn1nc(-c2ccnc(-c3cnc4ccccc4c3)c2)cc1C(=O)O.CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)CC4.Cc1ccc(-c2ccc3c(ccc4sc5c(c43)NC[C@@H](C)NC5=O)n2)cn1.O=C(c1ccc(-c2ccc(Cl)cc2)o1)N(Cc1ccccn1)c1ccc(N2CCCCC2)cc1.O=C1CCC2(CCNCC2)c2[nH]c(-c3ccnc(-c4ccc5c(c4)OCO5)n3)cc21.O=C1CCCc2[nH]c(-c3ccnc(-c4ccccc4F)c3)cc21.O=C1CCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21
InChIInChI=1S/C29H27N3O2.C28H26ClN3O2.C23H22N4O3.C22H17N3O.C21H18N4O2.C21H18N4OS.C19H15FN2O/c1-15-19(30-3)14-23-31-20-10-6-4-8-16(20)26-25-18(12-13-22(25)33)24-17-9-5-7-11-21(17)32(28(24)27(26)31)29(15,2)34-23;29-22-9-7-21(8-10-22)26-15-16-27(34-26)28(33)32(20-23-6-2-3-17-30-23)25-13-11-24(12-14-25)31-18-4-1-5-19-31;28-18-3-5-23(6-9-24-10-7-23)21-15(18)12-17(26-21)16-4-8-25-22(27-16)14-1-2-19-20(11-14)30-13-29-19;26-22-7-3-6-19-17(22)12-21(25-19)15-8-9-23-20(11-15)16-10-14-4-1-2-5-18(14)24-13-16;1-2-9-25-20(21(26)27)12-19(24-25)15-7-8-22-18(11-15)16-10-14-5-3-4-6-17(14)23-13-16;1-11-3-4-13(10-22-11)15-6-5-14-16(25-15)7-8-17-18(14)19-20(27-17)21(26)24-12(2)9-23-19;20-15-5-2-1-4-13(15)18-10-12(8-9-21-18)17-11-14-16(22-17)6-3-7-19(14)23/h4-11,15,19,23,30H,12-14H2,1-3H3;2-3,6-17H,1,4-5,18-20H2;1-2,4,8,11-12,24,26H,3,5-7,9-10,13H2;1-2,4-5,8-13,25H,3,6-7H2;3-8,10-13H,2,9H2,1H3,(H,26,27);3-8,10,12,23H,9H2,1-2H3,(H,24,26);1-2,4-5,8-11,22H,3,6-7H2/t15-,19-,23-,29+;;;;;12-;/m1....1./s1
InChIKeyKSJMHHGNESNMNL-WGXGOQGYSA-N
MW2702.60 g/mol
LogP34.00
Rot. Bonds19

About 2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-indole-7,4'-piperidine]-4-one;5-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide;(2S,3R,4R,6R)-2,3-dimethyl-4-(methylamino)-29-oxa-1,7-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;(15R)-15-methyl-5-(6-methyl-3-pyridinyl)-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one

2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-indole-7,4'-piperidine]-4-one;5-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide;(2S,3R,4R,6R)-2,3-dimethyl-4-(methylamino)-29-oxa-1,7-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;(15R)-15-methyl-5-(6-methyl-3-pyridinyl)-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one (PubChem CID 159226719) has the molecular formula C163H143ClFN23O12S and a molecular weight of 2702.60 g/mol. Its IUPAC name is 2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-indole-7,4'-piperidine]-4-one;5-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide;(2S,3R,4R,6R)-2,3-dimethyl-4-(methylamino)-29-oxa-1,7-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;(15R)-15-methyl-5-(6-methyl-3-pyridinyl)-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

Compound Name2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-indole-7,4'-piperidine]-4-one;5-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide;(2S,3R,4R,6R)-2,3-dimethyl-4-(methylamino)-29-oxa-1,7-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;(15R)-15-methyl-5-(6-methyl-3-pyridinyl)-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one
PubChem CID159226719
Molecular FormulaC163H143ClFN23O12S
Molecular Weight2702.60 g/mol
Exact Mass2700.07
IUPAC Name2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-indole-7,4'-piperidine]-4-one;5-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide;(2S,3R,4R,6R)-2,3-dimethyl-4-(methylamino)-29-oxa-1,7-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;(15R)-15-methyl-5-(6-methyl-3-pyridinyl)-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one
SMILESCCCn1nc(-c2ccnc(-c3cnc4ccccc4c3)c2)cc1C(=O)O.CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)CC4.Cc1ccc(-c2ccc3c(ccc4sc5c(c43)NC[C@@H](C)NC5=O)n2)cn1.O=C(c1ccc(-c2ccc(Cl)cc2)o1)N(Cc1ccccn1)c1ccc(N2CCCCC2)cc1.O=C1CCC2(CCNCC2)c2[nH]c(-c3ccnc(-c4ccc5c(c4)OCO5)n3)cc21.O=C1CCCc2[nH]c(-c3ccnc(-c4ccccc4F)c3)cc21.O=C1CCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21
InChIInChI=1S/C29H27N3O2.C28H26ClN3O2.C23H22N4O3.C22H17N3O.C21H18N4O2.C21H18N4OS.C19H15FN2O/c1-15-19(30-3)14-23-31-20-10-6-4-8-16(20)26-25-18(12-13-22(25)33)24-17-9-5-7-11-21(17)32(28(24)27(26)31)29(15,2)34-23;29-22-9-7-21(8-10-22)26-15-16-27(34-26)28(33)32(20-23-6-2-3-17-30-23)25-13-11-24(12-14-25)31-18-4-1-5-19-31;28-18-3-5-23(6-9-24-10-7-23)21-15(18)12-17(26-21)16-4-8-25-22(27-16)14-1-2-19-20(11-14)30-13-29-19;26-22-7-3-6-19-17(22)12-21(25-19)15-8-9-23-20(11-15)16-10-14-4-1-2-5-18(14)24-13-16;1-2-9-25-20(21(26)27)12-19(24-25)15-7-8-22-18(11-15)16-10-14-5-3-4-6-17(14)23-13-16;1-11-3-4-13(10-22-11)15-6-5-14-16(25-15)7-8-17-18(14)19-20(27-17)21(26)24-12(2)9-23-19;20-15-5-2-1-4-13(15)18-10-12(8-9-21-18)17-11-14-16(22-17)6-3-7-19(14)23/h4-11,15,19,23,30H,12-14H2,1-3H3;2-3,6-17H,1,4-5,18-20H2;1-2,4,8,11-12,24,26H,3,5-7,9-10,13H2;1-2,4-5,8-13,25H,3,6-7H2;3-8,10-13H,2,9H2,1H3,(H,26,27);3-8,10,12,23H,9H2,1-2H3,(H,24,26);1-2,4-5,8-11,22H,3,6-7H2/t15-,19-,23-,29+;;;;;12-;/m1....1./s1
InChIKeyKSJMHHGNESNMNL-WGXGOQGYSA-N
XLogP34.00
TPSA439.10 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds19
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002702.60
LogP ≤ 534.00
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-indole-7,4'-piperidine]-4-one;5-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide;(2S,3R,4R,6R)-2,3-dimethyl-4-(methylamino)-29-oxa-1,7-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;(15R)-15-methyl-5-(6-methyl-3-pyridinyl)-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-indole-7,4'-piperidine]-4-one;5-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide;(2S,3R,4R,6R)-2,3-dimethyl-4-(methylamino)-29-oxa-1,7-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;(15R)-15-methyl-5-(6-methyl-3-pyridinyl)-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one?
The IUPAC name of 2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-indole-7,4'-piperidine]-4-one;5-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide;(2S,3R,4R,6R)-2,3-dimethyl-4-(methylamino)-29-oxa-1,7-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;(15R)-15-methyl-5-(6-methyl-3-pyridinyl)-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one (CID 159226719) is 2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-indole-7,4'-piperidine]-4-one;5-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide;(2S,3R,4R,6R)-2,3-dimethyl-4-(methylamino)-29-oxa-1,7-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;(15R)-15-methyl-5-(6-methyl-3-pyridinyl)-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one.
What is the SMILES notation for 2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-indole-7,4'-piperidine]-4-one;5-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide;(2S,3R,4R,6R)-2,3-dimethyl-4-(methylamino)-29-oxa-1,7-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;(15R)-15-methyl-5-(6-methyl-3-pyridinyl)-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one?
The canonical SMILES for 2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-indole-7,4'-piperidine]-4-one;5-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide;(2S,3R,4R,6R)-2,3-dimethyl-4-(methylamino)-29-oxa-1,7-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;(15R)-15-methyl-5-(6-methyl-3-pyridinyl)-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one is CCCn1nc(-c2ccnc(-c3cnc4ccccc4c3)c2)cc1C(=O)O.CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)CC4.Cc1ccc(-c2ccc3c(ccc4sc5c(c43)NC[C@@H](C)NC5=O)n2)cn1.O=C(c1ccc(-c2ccc(Cl)cc2)o1)N(Cc1ccccn1)c1ccc(N2CCCCC2)cc1.O=C1CCC2(CCNCC2)c2[nH]c(-c3ccnc(-c4ccc5c(c4)OCO5)n3)cc21.O=C1CCCc2[nH]c(-c3ccnc(-c4ccccc4F)c3)cc21.O=C1CCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21.
What is the InChIKey of 2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-indole-7,4'-piperidine]-4-one;5-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide;(2S,3R,4R,6R)-2,3-dimethyl-4-(methylamino)-29-oxa-1,7-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;(15R)-15-methyl-5-(6-methyl-3-pyridinyl)-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one?
The InChIKey is KSJMHHGNESNMNL-WGXGOQGYSA-N. The full InChI is InChI=1S/C29H27N3O2.C28H26ClN3O2.C23H22N4O3.C22H17N3O.C21H18N4O2.C21H18N4OS.C19H15FN2O/c1-15-19(30-3)14-23-31-20-10-6-4-8-16(20)26-25-18(12-13-22(25)33)24-17-9-5-7-11-21(17)32(28(24)27(26)31)29(15,2)34-23;29-22-9-7-21(8-10-22)26-15-16-27(34-26)28(33)32(20-23-6-2-3-17-30-23)25-13-11-24(12-14-25)31-18-4-1-5-19-31;28-18-3-5-23(6-9-24-10-7-23)21-15(18)12-17(26-21)16-4-8-25-22(27-16)14-1-2-19-20(11-14)30-13-29-19;26-22-7-3-6-19-17(22)12-21(25-19)15-8-9-23-20(11-15)16-10-14-4-1-2-5-18(14)24-13-16;1-2-9-25-20(21(26)27)12-19(24-25)15-7-8-22-18(11-15)16-10-14-5-3-4-6-17(14)23-13-16;1-11-3-4-13(10-22-11)15-6-5-14-16(25-15)7-8-17-18(14)19-20(27-17)21(26)24-12(2)9-23-19;20-15-5-2-1-4-13(15)18-10-12(8-9-21-18)17-11-14-16(22-17)6-3-7-19(14)23/h4-11,15,19,23,30H,12-14H2,1-3H3;2-3,6-17H,1,4-5,18-20H2;1-2,4,8,11-12,24,26H,3,5-7,9-10,13H2;1-2,4-5,8-13,25H,3,6-7H2;3-8,10-13H,2,9H2,1H3,(H,26,27);3-8,10,12,23H,9H2,1-2H3,(H,24,26);1-2,4-5,8-11,22H,3,6-7H2/t15-,19-,23-,29+;;;;;12-;/m1....1./s1.
What are the key properties of 2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-indole-7,4'-piperidine]-4-one;5-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide;(2S,3R,4R,6R)-2,3-dimethyl-4-(methylamino)-29-oxa-1,7-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;(15R)-15-methyl-5-(6-methyl-3-pyridinyl)-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one?
2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-indole-7,4'-piperidine]-4-one;5-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide;(2S,3R,4R,6R)-2,3-dimethyl-4-(methylamino)-29-oxa-1,7-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;(15R)-15-methyl-5-(6-methyl-3-pyridinyl)-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one has a molecular weight of 2702.60 g/mol, XLogP of 34.00, 19 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]spiro[5,6-dihydro-1H-indole-7,4'-piperidine]-4-one;5-(4-chlorophenyl)-N-(4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide;(2S,3R,4R,6R)-2,3-dimethyl-4-(methylamino)-29-oxa-1,7-diazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one;2-[2-(2-fluorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydroindol-4-one;(15R)-15-methyl-5-(6-methyl-3-pyridinyl)-11-thia-6,14,17-triazatetracyclo[8.8.0.02,7.012,18]octadeca-1(10),2(7),3,5,8,12(18)-hexaen-13-one;1-propyl-3-(2-quinolin-3-yl-4-pyridinyl)pyrazole-5-carboxylic acid;2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 159226719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).