tert-butyl 4-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]piperidine-1-carboxylate;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(3-methylbutanoyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-piperidin-4-ylethyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-quinolin-5-ylindole-3-carboxamide

C103H119N15O15 — CID 160722972

IUPACtert-butyl 4-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]piperidine-1-carboxylate;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(3-methylbutanoyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-piperidin-4-ylethyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-quinolin-5-ylindole-3-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(-c2cccc3ncccc23)c2ccccc12.COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(=O)CC(C)C)c2ccccc12.COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCNCC2)c2ccccc12.COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc12
InChIInChI=1S/C28H36N4O5.C27H24N4O3.C25H32N4O3.C23H27N3O4/c1-17-15-23(36-6)21(25(33)30-17)16-29-26(34)24-18(2)32(22-10-8-7-9-20(22)24)19-11-13-31(14-12-19)27(35)37-28(3,4)5;1-16-14-24(34-3)20(26(32)30-16)15-29-27(33)25-17(2)31(23-11-5-4-8-19(23)25)22-12-6-10-21-18(22)9-7-13-28-21;1-15-13-22(32-4)20(24(30)28-15)14-27-25(31)23-17(3)29(21-8-6-5-7-19(21)23)16(2)18-9-11-26-12-10-18;1-13(2)10-20(27)26-15(4)21(16-8-6-7-9-18(16)26)23(29)24-12-17-19(30-5)11-14(3)25-22(17)28/h7-10,15,19H,11-14,16H2,1-6H3,(H,29,34)(H,30,33);4-14H,15H2,1-3H3,(H,29,33)(H,30,32);5-8,13,16,18,26H,9-12,14H2,1-4H3,(H,27,31)(H,28,30);6-9,11,13H,10,12H2,1-5H3,(H,24,29)(H,25,28)
InChIKeyRTINWHIEKZWSPT-UHFFFAOYSA-N
MW1807.17 g/mol
LogP15.90
Rot. Bonds22

About tert-butyl 4-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]piperidine-1-carboxylate;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(3-methylbutanoyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-piperidin-4-ylethyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-quinolin-5-ylindole-3-carboxamide

tert-butyl 4-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]piperidine-1-carboxylate;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(3-methylbutanoyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-piperidin-4-ylethyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-quinolin-5-ylindole-3-carboxamide (PubChem CID 160722972) has the molecular formula C103H119N15O15 and a molecular weight of 1807.17 g/mol. Its IUPAC name is tert-butyl 4-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]piperidine-1-carboxylate;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(3-methylbutanoyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-piperidin-4-ylethyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-quinolin-5-ylindole-3-carboxamide.

Molecular Properties

Compound Nametert-butyl 4-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]piperidine-1-carboxylate;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(3-methylbutanoyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-piperidin-4-ylethyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-quinolin-5-ylindole-3-carboxamide
PubChem CID160722972
Molecular FormulaC103H119N15O15
Molecular Weight1807.17 g/mol
Exact Mass1805.90
IUPAC Nametert-butyl 4-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]piperidine-1-carboxylate;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(3-methylbutanoyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-piperidin-4-ylethyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-quinolin-5-ylindole-3-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(-c2cccc3ncccc23)c2ccccc12.COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(=O)CC(C)C)c2ccccc12.COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCNCC2)c2ccccc12.COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc12
InChIInChI=1S/C28H36N4O5.C27H24N4O3.C25H32N4O3.C23H27N3O4/c1-17-15-23(36-6)21(25(33)30-17)16-29-26(34)24-18(2)32(22-10-8-7-9-20(22)24)19-11-13-31(14-12-19)27(35)37-28(3,4)5;1-16-14-24(34-3)20(26(32)30-16)15-29-27(33)25-17(2)31(23-11-5-4-8-19(23)25)22-12-6-10-21-18(22)9-7-13-28-21;1-15-13-22(32-4)20(24(30)28-15)14-27-25(31)23-17(3)29(21-8-6-5-7-19(21)23)16(2)18-9-11-26-12-10-18;1-13(2)10-20(27)26-15(4)21(16-8-6-7-9-18(16)26)23(29)24-12-17-19(30-5)11-14(3)25-22(17)28/h7-10,15,19H,11-14,16H2,1-6H3,(H,29,34)(H,30,33);4-14H,15H2,1-3H3,(H,29,33)(H,30,32);5-8,13,16,18,26H,9-12,14H2,1-4H3,(H,27,31)(H,28,30);6-9,11,13H,10,12H2,1-5H3,(H,24,29)(H,25,28)
InChIKeyRTINWHIEKZWSPT-UHFFFAOYSA-N
XLogP15.90
TPSA376.01 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds22
Heavy Atoms133
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001807.17
LogP ≤ 515.90
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Analyze tert-butyl 4-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]piperidine-1-carboxylate;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(3-methylbutanoyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-piperidin-4-ylethyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-quinolin-5-ylindole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]piperidine-1-carboxylate;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(3-methylbutanoyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-piperidin-4-ylethyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-quinolin-5-ylindole-3-carboxamide?
The IUPAC name of tert-butyl 4-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]piperidine-1-carboxylate;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(3-methylbutanoyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-piperidin-4-ylethyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-quinolin-5-ylindole-3-carboxamide (CID 160722972) is tert-butyl 4-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]piperidine-1-carboxylate;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(3-methylbutanoyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-piperidin-4-ylethyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-quinolin-5-ylindole-3-carboxamide.
What is the SMILES notation for tert-butyl 4-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]piperidine-1-carboxylate;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(3-methylbutanoyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-piperidin-4-ylethyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-quinolin-5-ylindole-3-carboxamide?
The canonical SMILES for tert-butyl 4-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]piperidine-1-carboxylate;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(3-methylbutanoyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-piperidin-4-ylethyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-quinolin-5-ylindole-3-carboxamide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(-c2cccc3ncccc23)c2ccccc12.COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(=O)CC(C)C)c2ccccc12.COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C2CCNCC2)c2ccccc12.COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc12.
What is the InChIKey of tert-butyl 4-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]piperidine-1-carboxylate;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(3-methylbutanoyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-piperidin-4-ylethyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-quinolin-5-ylindole-3-carboxamide?
The InChIKey is RTINWHIEKZWSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O5.C27H24N4O3.C25H32N4O3.C23H27N3O4/c1-17-15-23(36-6)21(25(33)30-17)16-29-26(34)24-18(2)32(22-10-8-7-9-20(22)24)19-11-13-31(14-12-19)27(35)37-28(3,4)5;1-16-14-24(34-3)20(26(32)30-16)15-29-27(33)25-17(2)31(23-11-5-4-8-19(23)25)22-12-6-10-21-18(22)9-7-13-28-21;1-15-13-22(32-4)20(24(30)28-15)14-27-25(31)23-17(3)29(21-8-6-5-7-19(21)23)16(2)18-9-11-26-12-10-18;1-13(2)10-20(27)26-15(4)21(16-8-6-7-9-18(16)26)23(29)24-12-17-19(30-5)11-14(3)25-22(17)28/h7-10,15,19H,11-14,16H2,1-6H3,(H,29,34)(H,30,33);4-14H,15H2,1-3H3,(H,29,33)(H,30,32);5-8,13,16,18,26H,9-12,14H2,1-4H3,(H,27,31)(H,28,30);6-9,11,13H,10,12H2,1-5H3,(H,24,29)(H,25,28).
What are the key properties of tert-butyl 4-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]piperidine-1-carboxylate;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(3-methylbutanoyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-piperidin-4-ylethyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-quinolin-5-ylindole-3-carboxamide?
tert-butyl 4-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]piperidine-1-carboxylate;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(3-methylbutanoyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-piperidin-4-ylethyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-quinolin-5-ylindole-3-carboxamide has a molecular weight of 1807.17 g/mol, XLogP of 15.90, 22 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-2-methylindol-1-yl]piperidine-1-carboxylate;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(3-methylbutanoyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-piperidin-4-ylethyl)indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-quinolin-5-ylindole-3-carboxamide is sourced from PubChem (CID 160722972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).