N-[3-tert-butyl-6-methoxy-5-[2-(methylamino)-2-oxoethyl]cyclohepta-2,4-dien-1-yl]-1-methyl-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]indole-2-carboxamide;N,N-dimethylethanamine;ethane

C38H56N6O5 — CID 143004283

IUPACN-[3-tert-butyl-6-methoxy-5-[2-(methylamino)-2-oxoethyl]cyclohepta-2,4-dien-1-yl]-1-methyl-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]indole-2-carboxamide;N,N-dimethylethanamine;ethane
SMILESCC.CCN(C)C.CNC(=O)CC1=CC(C(C)(C)C)=CC(NC(=O)c2cc3cccc(Oc4ccnc(C(=O)NC)c4)c3n2C)CC1OC
InChIInChI=1S/C32H39N5O5.C4H11N.C2H6/c1-32(2,3)21-13-20(15-28(38)33-4)27(41-7)17-22(16-21)36-31(40)25-14-19-9-8-10-26(29(19)37(25)6)42-23-11-12-35-24(18-23)30(39)34-5;1-4-5(2)3;1-2/h8-14,16,18,22,27H,15,17H2,1-7H3,(H,33,38)(H,34,39)(H,36,40);4H2,1-3H3;1-2H3
InChIKeyPADMTGAQVYUQFV-UHFFFAOYSA-N
MW676.90 g/mol
LogP5.87
Rot. Bonds9

About N-[3-tert-butyl-6-methoxy-5-[2-(methylamino)-2-oxoethyl]cyclohepta-2,4-dien-1-yl]-1-methyl-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]indole-2-carboxamide;N,N-dimethylethanamine;ethane

N-[3-tert-butyl-6-methoxy-5-[2-(methylamino)-2-oxoethyl]cyclohepta-2,4-dien-1-yl]-1-methyl-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]indole-2-carboxamide;N,N-dimethylethanamine;ethane (PubChem CID 143004283) has the molecular formula C38H56N6O5 and a molecular weight of 676.90 g/mol. Its IUPAC name is N-[3-tert-butyl-6-methoxy-5-[2-(methylamino)-2-oxoethyl]cyclohepta-2,4-dien-1-yl]-1-methyl-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]indole-2-carboxamide;N,N-dimethylethanamine;ethane.

Molecular Properties

Compound NameN-[3-tert-butyl-6-methoxy-5-[2-(methylamino)-2-oxoethyl]cyclohepta-2,4-dien-1-yl]-1-methyl-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]indole-2-carboxamide;N,N-dimethylethanamine;ethane
PubChem CID143004283
Molecular FormulaC38H56N6O5
Molecular Weight676.90 g/mol
Exact Mass676.43
IUPAC NameN-[3-tert-butyl-6-methoxy-5-[2-(methylamino)-2-oxoethyl]cyclohepta-2,4-dien-1-yl]-1-methyl-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]indole-2-carboxamide;N,N-dimethylethanamine;ethane
SMILESCC.CCN(C)C.CNC(=O)CC1=CC(C(C)(C)C)=CC(NC(=O)c2cc3cccc(Oc4ccnc(C(=O)NC)c4)c3n2C)CC1OC
InChIInChI=1S/C32H39N5O5.C4H11N.C2H6/c1-32(2,3)21-13-20(15-28(38)33-4)27(41-7)17-22(16-21)36-31(40)25-14-19-9-8-10-26(29(19)37(25)6)42-23-11-12-35-24(18-23)30(39)34-5;1-4-5(2)3;1-2/h8-14,16,18,22,27H,15,17H2,1-7H3,(H,33,38)(H,34,39)(H,36,40);4H2,1-3H3;1-2H3
InChIKeyPADMTGAQVYUQFV-UHFFFAOYSA-N
XLogP5.87
TPSA126.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.90
LogP ≤ 55.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[3-tert-butyl-6-methoxy-5-[2-(methylamino)-2-oxoethyl]cyclohepta-2,4-dien-1-yl]-1-methyl-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]indole-2-carboxamide;N,N-dimethylethanamine;ethane with MolForge

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Related Compounds

(5-(1-isopropylpiperidin-4-yloxy)-1H-indol-2-yl)(morpholino)methanone
CID 11717680
azepan-1-yl(5-(1-isopropylpiperidin-4-yloxy)-1H-indol-2-yl)methanone
CID 44184899
1-(4-benzoylpiperazin-1-yl)-2-(7-ethoxy-1H-indol-3-yl)ethane-1,2-dione
CID 44573476
1-(4-benzoylpiperazin-1-yl)-2-(7-butoxy-1H-indol-3-yl)ethane-1,2-dione
CID 44573477
5-methoxy-N,N-bis(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
CID 2809798
(R)-8-(3-(2-methylpyrrolidin-1-yl)propoxy)-3,4-dihydropyrazino[1,2-a]indol-1(2H)-one
CID 16122898
8-(1-isopropylpiperidin-4-yloxy)-2-(pyridin-2-ylmethyl)-3,4-dihydropyrazino[1,2-a]indol-1(2H)-one
CID 16678618
8-(1-isopropylpiperidin-4-yloxy)-2-(pyridin-3-ylmethyl)-3,4-dihydropyrazino[1,2-a]indol-1(2H)-one
CID 16678619
8-(1-isopropylpiperidin-4-yloxy)-2-(pyridin-4-ylmethyl)-3,4-dihydropyrazino[1,2-a]indol-1(2H)-one
CID 16678620
8-(1-isopropylpiperidin-4-yloxy)-3,4-dihydropyrazino[1,2-a]indol-1(2H)-one
CID 16679518
8-(3-(piperidin-1-yl)propoxy)-3,4-dihydropyrazino[1,2-a]indol-1(2H)-one
CID 16679519
8-(3-((2S,5S)-2,5-dimethylpyrrolidin-1-yl)propoxy)-3,4-dihydropyrazino[1,2-a]indol-1(2H)-one
CID 16679611

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-6-methoxy-5-[2-(methylamino)-2-oxoethyl]cyclohepta-2,4-dien-1-yl]-1-methyl-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]indole-2-carboxamide;N,N-dimethylethanamine;ethane?
The IUPAC name of N-[3-tert-butyl-6-methoxy-5-[2-(methylamino)-2-oxoethyl]cyclohepta-2,4-dien-1-yl]-1-methyl-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]indole-2-carboxamide;N,N-dimethylethanamine;ethane (CID 143004283) is N-[3-tert-butyl-6-methoxy-5-[2-(methylamino)-2-oxoethyl]cyclohepta-2,4-dien-1-yl]-1-methyl-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]indole-2-carboxamide;N,N-dimethylethanamine;ethane.
What is the SMILES notation for N-[3-tert-butyl-6-methoxy-5-[2-(methylamino)-2-oxoethyl]cyclohepta-2,4-dien-1-yl]-1-methyl-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]indole-2-carboxamide;N,N-dimethylethanamine;ethane?
The canonical SMILES for N-[3-tert-butyl-6-methoxy-5-[2-(methylamino)-2-oxoethyl]cyclohepta-2,4-dien-1-yl]-1-methyl-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]indole-2-carboxamide;N,N-dimethylethanamine;ethane is CC.CCN(C)C.CNC(=O)CC1=CC(C(C)(C)C)=CC(NC(=O)c2cc3cccc(Oc4ccnc(C(=O)NC)c4)c3n2C)CC1OC.
What is the InChIKey of N-[3-tert-butyl-6-methoxy-5-[2-(methylamino)-2-oxoethyl]cyclohepta-2,4-dien-1-yl]-1-methyl-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]indole-2-carboxamide;N,N-dimethylethanamine;ethane?
The InChIKey is PADMTGAQVYUQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N5O5.C4H11N.C2H6/c1-32(2,3)21-13-20(15-28(38)33-4)27(41-7)17-22(16-21)36-31(40)25-14-19-9-8-10-26(29(19)37(25)6)42-23-11-12-35-24(18-23)30(39)34-5;1-4-5(2)3;1-2/h8-14,16,18,22,27H,15,17H2,1-7H3,(H,33,38)(H,34,39)(H,36,40);4H2,1-3H3;1-2H3.
What are the key properties of N-[3-tert-butyl-6-methoxy-5-[2-(methylamino)-2-oxoethyl]cyclohepta-2,4-dien-1-yl]-1-methyl-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]indole-2-carboxamide;N,N-dimethylethanamine;ethane?
N-[3-tert-butyl-6-methoxy-5-[2-(methylamino)-2-oxoethyl]cyclohepta-2,4-dien-1-yl]-1-methyl-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]indole-2-carboxamide;N,N-dimethylethanamine;ethane has a molecular weight of 676.90 g/mol, XLogP of 5.87, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-6-methoxy-5-[2-(methylamino)-2-oxoethyl]cyclohepta-2,4-dien-1-yl]-1-methyl-7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]indole-2-carboxamide;N,N-dimethylethanamine;ethane is sourced from PubChem (CID 143004283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).