N-[2-(3-cyclopropyl-5-morpholin-4-yl-2-pyridinyl)ethyl]-3-ethyl-7-fluoro-1H-indole-2-carboxamide;ethyl 7-fluoro-1H-indole-2-carboxylate;3-ethyl-7-fluoro-1H-indole-2-carboxylic acid;methane

C50H61F3N6O6 — CID 158829788

IUPACN-[2-(3-cyclopropyl-5-morpholin-4-yl-2-pyridinyl)ethyl]-3-ethyl-7-fluoro-1H-indole-2-carboxamide;ethyl 7-fluoro-1H-indole-2-carboxylate;3-ethyl-7-fluoro-1H-indole-2-carboxylic acid;methane
SMILESC.C.C.CCOC(=O)c1cc2cccc(F)c2[nH]1.CCc1c(C(=O)NCCc2ncc(N3CCOCC3)cc2C2CC2)[nH]c2c(F)cccc12.CCc1c(C(=O)O)[nH]c2c(F)cccc12
InChIInChI=1S/C25H29FN4O2.2C11H10FNO2.3CH4/c1-2-18-19-4-3-5-21(26)23(19)29-24(18)25(31)27-9-8-22-20(16-6-7-16)14-17(15-28-22)30-10-12-32-13-11-30;1-2-15-11(14)9-6-7-4-3-5-8(12)10(7)13-9;1-2-6-7-4-3-5-8(12)9(7)13-10(6)11(14)15;;;/h3-5,14-16,29H,2,6-13H2,1H3,(H,27,31);3-6,13H,2H2,1H3;3-5,13H,2H2,1H3,(H,14,15);3*1H4
InChIKeyIWXAJUOPRCDKGJ-UHFFFAOYSA-N
MW899.07 g/mol
LogP10.91
Rot. Bonds11

About N-[2-(3-cyclopropyl-5-morpholin-4-yl-2-pyridinyl)ethyl]-3-ethyl-7-fluoro-1H-indole-2-carboxamide;ethyl 7-fluoro-1H-indole-2-carboxylate;3-ethyl-7-fluoro-1H-indole-2-carboxylic acid;methane

N-[2-(3-cyclopropyl-5-morpholin-4-yl-2-pyridinyl)ethyl]-3-ethyl-7-fluoro-1H-indole-2-carboxamide;ethyl 7-fluoro-1H-indole-2-carboxylate;3-ethyl-7-fluoro-1H-indole-2-carboxylic acid;methane (PubChem CID 158829788) has the molecular formula C50H61F3N6O6 and a molecular weight of 899.07 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-5-morpholin-4-yl-2-pyridinyl)ethyl]-3-ethyl-7-fluoro-1H-indole-2-carboxamide;ethyl 7-fluoro-1H-indole-2-carboxylate;3-ethyl-7-fluoro-1H-indole-2-carboxylic acid;methane.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-5-morpholin-4-yl-2-pyridinyl)ethyl]-3-ethyl-7-fluoro-1H-indole-2-carboxamide;ethyl 7-fluoro-1H-indole-2-carboxylate;3-ethyl-7-fluoro-1H-indole-2-carboxylic acid;methane
PubChem CID158829788
Molecular FormulaC50H61F3N6O6
Molecular Weight899.07 g/mol
Exact Mass898.46
IUPAC NameN-[2-(3-cyclopropyl-5-morpholin-4-yl-2-pyridinyl)ethyl]-3-ethyl-7-fluoro-1H-indole-2-carboxamide;ethyl 7-fluoro-1H-indole-2-carboxylate;3-ethyl-7-fluoro-1H-indole-2-carboxylic acid;methane
SMILESC.C.C.CCOC(=O)c1cc2cccc(F)c2[nH]1.CCc1c(C(=O)NCCc2ncc(N3CCOCC3)cc2C2CC2)[nH]c2c(F)cccc12.CCc1c(C(=O)O)[nH]c2c(F)cccc12
InChIInChI=1S/C25H29FN4O2.2C11H10FNO2.3CH4/c1-2-18-19-4-3-5-21(26)23(19)29-24(18)25(31)27-9-8-22-20(16-6-7-16)14-17(15-28-22)30-10-12-32-13-11-30;1-2-15-11(14)9-6-7-4-3-5-8(12)10(7)13-9;1-2-6-7-4-3-5-8(12)9(7)13-10(6)11(14)15;;;/h3-5,14-16,29H,2,6-13H2,1H3,(H,27,31);3-6,13H,2H2,1H3;3-5,13H,2H2,1H3,(H,14,15);3*1H4
InChIKeyIWXAJUOPRCDKGJ-UHFFFAOYSA-N
XLogP10.91
TPSA165.43 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.07
LogP ≤ 510.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-[2-(3-cyclopropyl-5-morpholin-4-yl-2-pyridinyl)ethyl]-3-ethyl-7-fluoro-1H-indole-2-carboxamide;ethyl 7-fluoro-1H-indole-2-carboxylate;3-ethyl-7-fluoro-1H-indole-2-carboxylic acid;methane with MolForge

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Launch Full Analysis

Related Compounds

Methyl 5-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]pyridine-2-carboxylate
CID 44143525
methyl (1R,12S)-10-(5-fluoro-1H-indole-2-carbonyl)-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate
CID 46888261
ethyl 5-{5-methyl-2-[(pyridin-4-ylmethyl)carbamoyl]pyridin-4-yl}-1H-indole-2-carboxylate
CID 45377565
US8785489, 4-{[({4-[2-(ethoxycarbonyl)-1H-indol-5-yl]pyridin-2-yl}carbonyl)amino]methyl}benzoic acid
CID 45376871
ethyl 4-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-[2-(1H-indol-3-yl)acetyl]amino]benzoate
CID 3190871
Ethyl 2-(3-hydroxy-5-oxo-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-4-yl)acetate
CID 10426454
4-(2-{3-[4-(1H-Indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-indol-1-yl}-acetylamino)-1-methyl-1H-pyrrole-2-carboxylic acid methyl ester
CID 10530006
methyl 3-[1-[2-hydroxy-1-[1-[(E)-3-(3,4,5-trifluorophenyl)prop-2-enoyl]piperidin-4-yl]ethyl]piperidin-4-yl]-1H-indole-5-carboxylate
CID 44448948
benzyl (2S)-2-[(15S)-12,12-dimethyl-14-oxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]-2-(1H-indol-3-yl)acetate
CID 46228608
5-[[(3S)-3-[[3-cyclohexyl-1-methyl-2-(2-pyridyl)indole-6-carbonyl]amino]piperidine-3-carbonyl]amino]-1-methyl-indole-2-carboxylic acid
CID 54582740
Lycogarubicacid methyl ester
CID 11338520
US8785489, ethyl 5-(2-{[(6-oxo-1,6-dihydropyridin-3-yl)methyl]carbamoyl}pyridin-4-yl)-1H-indole-2-carboxylate
CID 45377421

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-5-morpholin-4-yl-2-pyridinyl)ethyl]-3-ethyl-7-fluoro-1H-indole-2-carboxamide;ethyl 7-fluoro-1H-indole-2-carboxylate;3-ethyl-7-fluoro-1H-indole-2-carboxylic acid;methane?
The IUPAC name of N-[2-(3-cyclopropyl-5-morpholin-4-yl-2-pyridinyl)ethyl]-3-ethyl-7-fluoro-1H-indole-2-carboxamide;ethyl 7-fluoro-1H-indole-2-carboxylate;3-ethyl-7-fluoro-1H-indole-2-carboxylic acid;methane (CID 158829788) is N-[2-(3-cyclopropyl-5-morpholin-4-yl-2-pyridinyl)ethyl]-3-ethyl-7-fluoro-1H-indole-2-carboxamide;ethyl 7-fluoro-1H-indole-2-carboxylate;3-ethyl-7-fluoro-1H-indole-2-carboxylic acid;methane.
What is the SMILES notation for N-[2-(3-cyclopropyl-5-morpholin-4-yl-2-pyridinyl)ethyl]-3-ethyl-7-fluoro-1H-indole-2-carboxamide;ethyl 7-fluoro-1H-indole-2-carboxylate;3-ethyl-7-fluoro-1H-indole-2-carboxylic acid;methane?
The canonical SMILES for N-[2-(3-cyclopropyl-5-morpholin-4-yl-2-pyridinyl)ethyl]-3-ethyl-7-fluoro-1H-indole-2-carboxamide;ethyl 7-fluoro-1H-indole-2-carboxylate;3-ethyl-7-fluoro-1H-indole-2-carboxylic acid;methane is C.C.C.CCOC(=O)c1cc2cccc(F)c2[nH]1.CCc1c(C(=O)NCCc2ncc(N3CCOCC3)cc2C2CC2)[nH]c2c(F)cccc12.CCc1c(C(=O)O)[nH]c2c(F)cccc12.
What is the InChIKey of N-[2-(3-cyclopropyl-5-morpholin-4-yl-2-pyridinyl)ethyl]-3-ethyl-7-fluoro-1H-indole-2-carboxamide;ethyl 7-fluoro-1H-indole-2-carboxylate;3-ethyl-7-fluoro-1H-indole-2-carboxylic acid;methane?
The InChIKey is IWXAJUOPRCDKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O2.2C11H10FNO2.3CH4/c1-2-18-19-4-3-5-21(26)23(19)29-24(18)25(31)27-9-8-22-20(16-6-7-16)14-17(15-28-22)30-10-12-32-13-11-30;1-2-15-11(14)9-6-7-4-3-5-8(12)10(7)13-9;1-2-6-7-4-3-5-8(12)9(7)13-10(6)11(14)15;;;/h3-5,14-16,29H,2,6-13H2,1H3,(H,27,31);3-6,13H,2H2,1H3;3-5,13H,2H2,1H3,(H,14,15);3*1H4.
What are the key properties of N-[2-(3-cyclopropyl-5-morpholin-4-yl-2-pyridinyl)ethyl]-3-ethyl-7-fluoro-1H-indole-2-carboxamide;ethyl 7-fluoro-1H-indole-2-carboxylate;3-ethyl-7-fluoro-1H-indole-2-carboxylic acid;methane?
N-[2-(3-cyclopropyl-5-morpholin-4-yl-2-pyridinyl)ethyl]-3-ethyl-7-fluoro-1H-indole-2-carboxamide;ethyl 7-fluoro-1H-indole-2-carboxylate;3-ethyl-7-fluoro-1H-indole-2-carboxylic acid;methane has a molecular weight of 899.07 g/mol, XLogP of 10.91, 11 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-5-morpholin-4-yl-2-pyridinyl)ethyl]-3-ethyl-7-fluoro-1H-indole-2-carboxamide;ethyl 7-fluoro-1H-indole-2-carboxylate;3-ethyl-7-fluoro-1H-indole-2-carboxylic acid;methane is sourced from PubChem (CID 158829788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).