6-[1-[(3R)-1-[[3-[4-[3-[5-[2-(dimethylcarbamoyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-6-oxopiperidin-3-yl]phenyl]phenyl]methyl]-5-oxopyrrolidine-3-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide

C56H58N8O6 — CID 177172134

IUPAC6-[1-[(3R)-1-[[3-[4-[3-[5-[2-(dimethylcarbamoyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-6-oxopiperidin-3-yl]phenyl]phenyl]methyl]-5-oxopyrrolidine-3-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cc2ccc(C3=CCCN(C(=O)[C@@H]4CC(=O)N(Cc5cccc(-c6ccc(C7(C(=O)N8CCC=C(c9ccc%10cc(C(=O)N(C)C)[nH]c%10c9)C8)CCC(=O)NC7)cc6)c5)C4)C3)cc2[nH]1
InChIInChI=1S/C56H58N8O6/c1-60(2)53(68)48-27-40-14-12-38(25-46(40)58-48)42-10-6-22-62(31-42)52(67)44-29-51(66)64(33-44)30-35-8-5-9-37(24-35)36-16-18-45(19-17-36)56(21-20-50(65)57-34-56)55(70)63-23-7-11-43(32-63)39-13-15-41-28-49(54(69)61(3)4)59-47(41)26-39/h5,8-19,24-28,44,58-59H,6-7,20-23,29-34H2,1-4H3,(H,57,65)/t44-,56?/m1/s1
InChIKeyJLRQTZKEPBBTIV-MANMMUJWSA-N
MW939.13 g/mol
LogP6.85
Rot. Bonds10

About 6-[1-[(3R)-1-[[3-[4-[3-[5-[2-(dimethylcarbamoyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-6-oxopiperidin-3-yl]phenyl]phenyl]methyl]-5-oxopyrrolidine-3-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide

6-[1-[(3R)-1-[[3-[4-[3-[5-[2-(dimethylcarbamoyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-6-oxopiperidin-3-yl]phenyl]phenyl]methyl]-5-oxopyrrolidine-3-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide (PubChem CID 177172134) has the molecular formula C56H58N8O6 and a molecular weight of 939.13 g/mol. Its IUPAC name is 6-[1-[(3R)-1-[[3-[4-[3-[5-[2-(dimethylcarbamoyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-6-oxopiperidin-3-yl]phenyl]phenyl]methyl]-5-oxopyrrolidine-3-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-[1-[(3R)-1-[[3-[4-[3-[5-[2-(dimethylcarbamoyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-6-oxopiperidin-3-yl]phenyl]phenyl]methyl]-5-oxopyrrolidine-3-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide
PubChem CID177172134
Molecular FormulaC56H58N8O6
Molecular Weight939.13 g/mol
Exact Mass938.45
IUPAC Name6-[1-[(3R)-1-[[3-[4-[3-[5-[2-(dimethylcarbamoyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-6-oxopiperidin-3-yl]phenyl]phenyl]methyl]-5-oxopyrrolidine-3-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide
SMILESCN(C)C(=O)c1cc2ccc(C3=CCCN(C(=O)[C@@H]4CC(=O)N(Cc5cccc(-c6ccc(C7(C(=O)N8CCC=C(c9ccc%10cc(C(=O)N(C)C)[nH]c%10c9)C8)CCC(=O)NC7)cc6)c5)C4)C3)cc2[nH]1
InChIInChI=1S/C56H58N8O6/c1-60(2)53(68)48-27-40-14-12-38(25-46(40)58-48)42-10-6-22-62(31-42)52(67)44-29-51(66)64(33-44)30-35-8-5-9-37(24-35)36-16-18-45(19-17-36)56(21-20-50(65)57-34-56)55(70)63-23-7-11-43(32-63)39-13-15-41-28-49(54(69)61(3)4)59-47(41)26-39/h5,8-19,24-28,44,58-59H,6-7,20-23,29-34H2,1-4H3,(H,57,65)/t44-,56?/m1/s1
InChIKeyJLRQTZKEPBBTIV-MANMMUJWSA-N
XLogP6.85
TPSA162.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.13
LogP ≤ 56.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[1-[(3R)-1-[[3-[4-[3-[5-[2-(dimethylcarbamoyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-6-oxopiperidin-3-yl]phenyl]phenyl]methyl]-5-oxopyrrolidine-3-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide with MolForge

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Related Compounds

6-[1-[1-(4-chlorophenyl)-3-hydroxycyclobutanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide
CID 177171088
N,N-dimethyl-6-[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 177170024
6-[1-[(1R,3S)-3-[5-[2-[2-(dimethylamino)acetyl]-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopentanecarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide
CID 177171516
N,N-dimethyl-6-[1-(3-phenyl-1,4,2-dioxazole-5-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 177170585
N,N-dimethyl-6-[1-[3-(5-methyltriazol-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 177169921
N,N-dimethyl-6-[1-(6-oxo-1H-pyridazine-5-carbonyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 177171090
6-[1-[(2R)-3-hydroxy-2-phenylpropanoyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide
CID 177171149
4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 120655849
4-[(3S)-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 29022609
4-[1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 45241287
4-[(3R)-1-[(3-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazin-2-one
CID 29022610
N-benzyl-1-[(3-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46109759

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(3R)-1-[[3-[4-[3-[5-[2-(dimethylcarbamoyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-6-oxopiperidin-3-yl]phenyl]phenyl]methyl]-5-oxopyrrolidine-3-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide?
The IUPAC name of 6-[1-[(3R)-1-[[3-[4-[3-[5-[2-(dimethylcarbamoyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-6-oxopiperidin-3-yl]phenyl]phenyl]methyl]-5-oxopyrrolidine-3-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide (CID 177172134) is 6-[1-[(3R)-1-[[3-[4-[3-[5-[2-(dimethylcarbamoyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-6-oxopiperidin-3-yl]phenyl]phenyl]methyl]-5-oxopyrrolidine-3-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-[1-[(3R)-1-[[3-[4-[3-[5-[2-(dimethylcarbamoyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-6-oxopiperidin-3-yl]phenyl]phenyl]methyl]-5-oxopyrrolidine-3-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide?
The canonical SMILES for 6-[1-[(3R)-1-[[3-[4-[3-[5-[2-(dimethylcarbamoyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-6-oxopiperidin-3-yl]phenyl]phenyl]methyl]-5-oxopyrrolidine-3-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide is CN(C)C(=O)c1cc2ccc(C3=CCCN(C(=O)[C@@H]4CC(=O)N(Cc5cccc(-c6ccc(C7(C(=O)N8CCC=C(c9ccc%10cc(C(=O)N(C)C)[nH]c%10c9)C8)CCC(=O)NC7)cc6)c5)C4)C3)cc2[nH]1.
What is the InChIKey of 6-[1-[(3R)-1-[[3-[4-[3-[5-[2-(dimethylcarbamoyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-6-oxopiperidin-3-yl]phenyl]phenyl]methyl]-5-oxopyrrolidine-3-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide?
The InChIKey is JLRQTZKEPBBTIV-MANMMUJWSA-N. The full InChI is InChI=1S/C56H58N8O6/c1-60(2)53(68)48-27-40-14-12-38(25-46(40)58-48)42-10-6-22-62(31-42)52(67)44-29-51(66)64(33-44)30-35-8-5-9-37(24-35)36-16-18-45(19-17-36)56(21-20-50(65)57-34-56)55(70)63-23-7-11-43(32-63)39-13-15-41-28-49(54(69)61(3)4)59-47(41)26-39/h5,8-19,24-28,44,58-59H,6-7,20-23,29-34H2,1-4H3,(H,57,65)/t44-,56?/m1/s1.
What are the key properties of 6-[1-[(3R)-1-[[3-[4-[3-[5-[2-(dimethylcarbamoyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-6-oxopiperidin-3-yl]phenyl]phenyl]methyl]-5-oxopyrrolidine-3-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide?
6-[1-[(3R)-1-[[3-[4-[3-[5-[2-(dimethylcarbamoyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-6-oxopiperidin-3-yl]phenyl]phenyl]methyl]-5-oxopyrrolidine-3-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide has a molecular weight of 939.13 g/mol, XLogP of 6.85, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(3R)-1-[[3-[4-[3-[5-[2-(dimethylcarbamoyl)-1H-indol-6-yl]-3,6-dihydro-2H-pyridine-1-carbonyl]-6-oxopiperidin-3-yl]phenyl]phenyl]methyl]-5-oxopyrrolidine-3-carbonyl]-3,6-dihydro-2H-pyridin-5-yl]-N,N-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 177172134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).