5-(2-methoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;5-methoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylindole-5-carboxylic acid

C92H107N9O15 — CID 157292010

IUPAC5-(2-methoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;5-methoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylindole-5-carboxylic acid
SMILESCC(C)c1cn(CC2CCN(C)C2)c2ccc(C(=O)O)cc12.COCCOc1cc(C(C)C)c2c(c1)cc(C(=O)O)n2Cc1ccccn1.COc1cc(C(C)C)c2c(c1)cc(C(=O)O)n2C.COc1cc(C(C)C)c2c(c1)cc(C(=O)O)n2Cc1cccc(C)n1.COc1cc(C(C)C)c2c(c1)cc(C(=O)O)n2Cc1ccccn1
InChIInChI=1S/C21H24N2O4.C20H22N2O3.C19H20N2O3.C18H24N2O2.C14H17NO3/c1-14(2)18-12-17(27-9-8-26-3)10-15-11-19(21(24)25)23(20(15)18)13-16-6-4-5-7-22-16;1-12(2)17-10-16(25-4)8-14-9-18(20(23)24)22(19(14)17)11-15-7-5-6-13(3)21-15;1-12(2)16-10-15(24-3)8-13-9-17(19(22)23)21(18(13)16)11-14-6-4-5-7-20-14;1-12(2)16-11-20(10-13-6-7-19(3)9-13)17-5-4-14(18(21)22)8-15(16)17;1-8(2)11-7-10(18-4)5-9-6-12(14(16)17)15(3)13(9)11/h4-7,10-12,14H,8-9,13H2,1-3H3,(H,24,25);5-10,12H,11H2,1-4H3,(H,23,24);4-10,12H,11H2,1-3H3,(H,22,23);4-5,8,11-13H,6-7,9-10H2,1-3H3,(H,21,22);5-8H,1-4H3,(H,16,17)
InChIKeyBAXMPKDRNMSYEB-UHFFFAOYSA-N
MW1578.92 g/mol
LogP18.49
Rot. Bonds25

About 5-(2-methoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;5-methoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylindole-5-carboxylic acid

5-(2-methoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;5-methoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylindole-5-carboxylic acid (PubChem CID 157292010) has the molecular formula C92H107N9O15 and a molecular weight of 1578.92 g/mol. Its IUPAC name is 5-(2-methoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;5-methoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylindole-5-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;5-methoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylindole-5-carboxylic acid
PubChem CID157292010
Molecular FormulaC92H107N9O15
Molecular Weight1578.92 g/mol
Exact Mass1577.79
IUPAC Name5-(2-methoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;5-methoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylindole-5-carboxylic acid
SMILESCC(C)c1cn(CC2CCN(C)C2)c2ccc(C(=O)O)cc12.COCCOc1cc(C(C)C)c2c(c1)cc(C(=O)O)n2Cc1ccccn1.COc1cc(C(C)C)c2c(c1)cc(C(=O)O)n2C.COc1cc(C(C)C)c2c(c1)cc(C(=O)O)n2Cc1cccc(C)n1.COc1cc(C(C)C)c2c(c1)cc(C(=O)O)n2Cc1ccccn1
InChIInChI=1S/C21H24N2O4.C20H22N2O3.C19H20N2O3.C18H24N2O2.C14H17NO3/c1-14(2)18-12-17(27-9-8-26-3)10-15-11-19(21(24)25)23(20(15)18)13-16-6-4-5-7-22-16;1-12(2)17-10-16(25-4)8-14-9-18(20(23)24)22(19(14)17)11-15-7-5-6-13(3)21-15;1-12(2)16-10-15(24-3)8-13-9-17(19(22)23)21(18(13)16)11-14-6-4-5-7-20-14;1-12(2)16-11-20(10-13-6-7-19(3)9-13)17-5-4-14(18(21)22)8-15(16)17;1-8(2)11-7-10(18-4)5-9-6-12(14(16)17)15(3)13(9)11/h4-7,10-12,14H,8-9,13H2,1-3H3,(H,24,25);5-10,12H,11H2,1-4H3,(H,23,24);4-10,12H,11H2,1-3H3,(H,22,23);4-5,8,11-13H,6-7,9-10H2,1-3H3,(H,21,22);5-8H,1-4H3,(H,16,17)
InChIKeyBAXMPKDRNMSYEB-UHFFFAOYSA-N
XLogP18.49
TPSA299.21 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds25
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001578.92
LogP ≤ 518.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(2-methoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;5-methoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylindole-5-carboxylic acid with MolForge

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Related Compounds

(2S)-2-[[4-[[(2S)-2-[[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-[[(2S)-1-[4-[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methylpentanoic acid
CID 162672081
CID 73265321
CID 73265321
(2S)-2-[[4-[[(2S)-2-[[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-[[(2S)-1-[4-[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methylpentanoic acid
CID 162652136
(2S)-2-[[4-[[(2S)-2-[[4-[2-[2-[2-[2-[2-[2-[2-[2-[[4-[[(2S)-1-[4-[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methylpentanoic acid
CID 162654695
(2S)-2-[[4-[[(2S)-2-[[4-[2-[2-[2-[2-[2-[2-[[4-[[(2S)-1-[4-[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methylpentanoic acid
CID 162659881
(2S)-2-[[4-[[(2S)-2-[[4-[2-[2-[2-[2-[[4-[[(2S)-1-[4-[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methylpentanoic acid
CID 162662856
3-[3-(4-Chloro-3,5-dimethylphenoxy)propyl]-7-[2-[(5-methoxyindol-1-yl)methyl]phenyl]-1-(2-morpholin-4-ylethyl)indole-2-carboxylic acid
CID 177378800
3-(1,2-Dipyridin-4-ylethyl)-1-(4-propan-2-yloxyphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]indole-2-carboxylic acid
CID 91152184
3-[(4-Methylpiperazin-1-yl)methyl]-1-(4-propan-2-yloxyphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]indole-2-carboxylic acid
CID 91491555
1-(2,5-Difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid
CID 157710840
3-[(4-Methylpiperazin-1-yl)methyl]-1-(4-propan-2-yloxyphenyl)-5-[5-(trifluoromethyl)pyridin-2-yl]indole-2-carboxylic acid;trihydrochloride
CID 157857136
1-(2,5-Difluorophenyl)indole-5-carboxylic acid;1-(3,5-difluorophenyl)indole-5-carboxylic acid;1-(3-methylphenyl)indole-5-carboxylic acid;1-[4-(trifluoromethoxy)phenyl]indole-5-carboxylic acid;1-(3,4,5-trifluorophenyl)indole-5-carboxylic acid
CID 159228066

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;5-methoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylindole-5-carboxylic acid?
The IUPAC name of 5-(2-methoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;5-methoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylindole-5-carboxylic acid (CID 157292010) is 5-(2-methoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;5-methoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylindole-5-carboxylic acid.
What is the SMILES notation for 5-(2-methoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;5-methoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylindole-5-carboxylic acid?
The canonical SMILES for 5-(2-methoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;5-methoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylindole-5-carboxylic acid is CC(C)c1cn(CC2CCN(C)C2)c2ccc(C(=O)O)cc12.COCCOc1cc(C(C)C)c2c(c1)cc(C(=O)O)n2Cc1ccccn1.COc1cc(C(C)C)c2c(c1)cc(C(=O)O)n2C.COc1cc(C(C)C)c2c(c1)cc(C(=O)O)n2Cc1cccc(C)n1.COc1cc(C(C)C)c2c(c1)cc(C(=O)O)n2Cc1ccccn1.
What is the InChIKey of 5-(2-methoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;5-methoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylindole-5-carboxylic acid?
The InChIKey is BAXMPKDRNMSYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4.C20H22N2O3.C19H20N2O3.C18H24N2O2.C14H17NO3/c1-14(2)18-12-17(27-9-8-26-3)10-15-11-19(21(24)25)23(20(15)18)13-16-6-4-5-7-22-16;1-12(2)17-10-16(25-4)8-14-9-18(20(23)24)22(19(14)17)11-15-7-5-6-13(3)21-15;1-12(2)16-10-15(24-3)8-13-9-17(19(22)23)21(18(13)16)11-14-6-4-5-7-20-14;1-12(2)16-11-20(10-13-6-7-19(3)9-13)17-5-4-14(18(21)22)8-15(16)17;1-8(2)11-7-10(18-4)5-9-6-12(14(16)17)15(3)13(9)11/h4-7,10-12,14H,8-9,13H2,1-3H3,(H,24,25);5-10,12H,11H2,1-4H3,(H,23,24);4-10,12H,11H2,1-3H3,(H,22,23);4-5,8,11-13H,6-7,9-10H2,1-3H3,(H,21,22);5-8H,1-4H3,(H,16,17).
What are the key properties of 5-(2-methoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;5-methoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylindole-5-carboxylic acid?
5-(2-methoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;5-methoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylindole-5-carboxylic acid has a molecular weight of 1578.92 g/mol, XLogP of 18.49, 25 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethoxy)-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;5-methoxy-1-methyl-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-1-[(6-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;5-methoxy-7-propan-2-yl-1-(pyridin-2-ylmethyl)indole-2-carboxylic acid;1-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylindole-5-carboxylic acid is sourced from PubChem (CID 157292010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).