ethyl 6-chloro-7-[3-[cyclopropyl(hydroxy)methyl]-5-ethyl-1-methylpyrazol-4-yl]-3-[3-(6-fluoronaphthalen-1-yl)oxypropyl]-1H-indole-2-carboxylate

C34H35ClFN3O4 — CID 142591813

IUPACethyl 6-chloro-7-[3-[cyclopropyl(hydroxy)methyl]-5-ethyl-1-methylpyrazol-4-yl]-3-[3-(6-fluoronaphthalen-1-yl)oxypropyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2c(-c3c(C(O)C4CC4)nn(C)c3CC)c(Cl)ccc2c1CCCOc1cccc2cc(F)ccc12
InChIInChI=1S/C34H35ClFN3O4/c1-4-26-29(32(38-39(26)3)33(40)19-11-12-19)28-25(35)16-15-24-23(31(37-30(24)28)34(41)42-5-2)9-7-17-43-27-10-6-8-20-18-21(36)13-14-22(20)27/h6,8,10,13-16,18-19,33,37,40H,4-5,7,9,11-12,17H2,1-3H3
InChIKeyRTETWYXZBYTTIO-UHFFFAOYSA-N
MW604.12 g/mol
LogP7.71
Rot. Bonds11

About ethyl 6-chloro-7-[3-[cyclopropyl(hydroxy)methyl]-5-ethyl-1-methylpyrazol-4-yl]-3-[3-(6-fluoronaphthalen-1-yl)oxypropyl]-1H-indole-2-carboxylate

ethyl 6-chloro-7-[3-[cyclopropyl(hydroxy)methyl]-5-ethyl-1-methylpyrazol-4-yl]-3-[3-(6-fluoronaphthalen-1-yl)oxypropyl]-1H-indole-2-carboxylate (PubChem CID 142591813) has the molecular formula C34H35ClFN3O4 and a molecular weight of 604.12 g/mol. Its IUPAC name is ethyl 6-chloro-7-[3-[cyclopropyl(hydroxy)methyl]-5-ethyl-1-methylpyrazol-4-yl]-3-[3-(6-fluoronaphthalen-1-yl)oxypropyl]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-7-[3-[cyclopropyl(hydroxy)methyl]-5-ethyl-1-methylpyrazol-4-yl]-3-[3-(6-fluoronaphthalen-1-yl)oxypropyl]-1H-indole-2-carboxylate
PubChem CID142591813
Molecular FormulaC34H35ClFN3O4
Molecular Weight604.12 g/mol
Exact Mass603.23
IUPAC Nameethyl 6-chloro-7-[3-[cyclopropyl(hydroxy)methyl]-5-ethyl-1-methylpyrazol-4-yl]-3-[3-(6-fluoronaphthalen-1-yl)oxypropyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2c(-c3c(C(O)C4CC4)nn(C)c3CC)c(Cl)ccc2c1CCCOc1cccc2cc(F)ccc12
InChIInChI=1S/C34H35ClFN3O4/c1-4-26-29(32(38-39(26)3)33(40)19-11-12-19)28-25(35)16-15-24-23(31(37-30(24)28)34(41)42-5-2)9-7-17-43-27-10-6-8-20-18-21(36)13-14-22(20)27/h6,8,10,13-16,18-19,33,37,40H,4-5,7,9,11-12,17H2,1-3H3
InChIKeyRTETWYXZBYTTIO-UHFFFAOYSA-N
XLogP7.71
TPSA89.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.12
LogP ≤ 57.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 6-chloro-7-[3-[cyclopropyl(hydroxy)methyl]-5-ethyl-1-methylpyrazol-4-yl]-3-[3-(6-fluoronaphthalen-1-yl)oxypropyl]-1H-indole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 6-chloro-7-[3-(1,3-dihydroxy-3-methylbutyl)-5-ethyl-1-methylpyrazol-4-yl]-3-[3-(6-fluoronaphthalen-1-yl)oxypropyl]-1H-indole-2-carboxylate
CID 142591962
ethyl 6-chloro-7-[3-[cyclopropyl(hydroxy)methyl]-1,5-dimethylpyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylate
CID 142591851
ethyl 7-[3-[3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-5-ethyl-1-methylpyrazol-4-yl]-6-chloro-3-[3-(6-fluoronaphthalen-1-yl)oxypropyl]-1H-indole-2-carboxylate
CID 157346613
ethyl 6-chloro-7-[5-ethyl-1-methyl-3-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylate
CID 175793274
6-chloro-7-[5-ethyl-1-methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid
CID 155123517
ethyl 6-fluoro-3-[3-(6-fluoronaphthalen-1-yl)oxypropyl]-7-[3-[(1R)-1-hydroxy-3-morpholin-4-ylpropyl]-1,5-dimethylpyrazol-4-yl]-1H-indole-2-carboxylate
CID 175967992
ethane;ethyl 6-fluoro-3-[3-(6-fluoronaphthalen-1-yl)oxypropyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-2-carboxylate
CID 166152664
tert-butyl 6-chloro-3-[3-(6-fluoronaphthalen-1-yl)oxypropyl]-7-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-2-carboxylate
CID 166152066
ethyl 6-chloro-7-[3-(hydroxymethyl)-1,5-dimethylpyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylate
CID 142591131
ethyl 6-chloro-7-[5-[[3-chloropropylsulfonyl(cyclopropyl)amino]methyl]-3-ethyl-1H-pyrazol-4-yl]-3-[3-(6-fluoronaphthalen-1-yl)oxypropyl]-1H-indole-2-carboxylate
CID 158712386
ethyl 6-chloro-7-[3-[[(3,3-difluoro-4-hydroxybutyl)-(2-nitrophenyl)sulfonylamino]methyl]-5-ethyl-1-methylpyrazol-4-yl]-3-[3-(6-fluoronaphthalen-1-yl)oxypropyl]-1H-indole-2-carboxylate
CID 142591112
ethyl 19-chloro-3-ethyl-15-[3-(6-fluoronaphthalen-1-yl)oxypropyl]-4,8-dimethyl-4,5,8,13-tetrazatetracyclo[11.6.1.02,6.016,20]icosa-1(19),2,5,14,16(20),17-hexaene-14-carboxylate
CID 142591087

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-7-[3-[cyclopropyl(hydroxy)methyl]-5-ethyl-1-methylpyrazol-4-yl]-3-[3-(6-fluoronaphthalen-1-yl)oxypropyl]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 6-chloro-7-[3-[cyclopropyl(hydroxy)methyl]-5-ethyl-1-methylpyrazol-4-yl]-3-[3-(6-fluoronaphthalen-1-yl)oxypropyl]-1H-indole-2-carboxylate (CID 142591813) is ethyl 6-chloro-7-[3-[cyclopropyl(hydroxy)methyl]-5-ethyl-1-methylpyrazol-4-yl]-3-[3-(6-fluoronaphthalen-1-yl)oxypropyl]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 6-chloro-7-[3-[cyclopropyl(hydroxy)methyl]-5-ethyl-1-methylpyrazol-4-yl]-3-[3-(6-fluoronaphthalen-1-yl)oxypropyl]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 6-chloro-7-[3-[cyclopropyl(hydroxy)methyl]-5-ethyl-1-methylpyrazol-4-yl]-3-[3-(6-fluoronaphthalen-1-yl)oxypropyl]-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2c(-c3c(C(O)C4CC4)nn(C)c3CC)c(Cl)ccc2c1CCCOc1cccc2cc(F)ccc12.
What is the InChIKey of ethyl 6-chloro-7-[3-[cyclopropyl(hydroxy)methyl]-5-ethyl-1-methylpyrazol-4-yl]-3-[3-(6-fluoronaphthalen-1-yl)oxypropyl]-1H-indole-2-carboxylate?
The InChIKey is RTETWYXZBYTTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35ClFN3O4/c1-4-26-29(32(38-39(26)3)33(40)19-11-12-19)28-25(35)16-15-24-23(31(37-30(24)28)34(41)42-5-2)9-7-17-43-27-10-6-8-20-18-21(36)13-14-22(20)27/h6,8,10,13-16,18-19,33,37,40H,4-5,7,9,11-12,17H2,1-3H3.
What are the key properties of ethyl 6-chloro-7-[3-[cyclopropyl(hydroxy)methyl]-5-ethyl-1-methylpyrazol-4-yl]-3-[3-(6-fluoronaphthalen-1-yl)oxypropyl]-1H-indole-2-carboxylate?
ethyl 6-chloro-7-[3-[cyclopropyl(hydroxy)methyl]-5-ethyl-1-methylpyrazol-4-yl]-3-[3-(6-fluoronaphthalen-1-yl)oxypropyl]-1H-indole-2-carboxylate has a molecular weight of 604.12 g/mol, XLogP of 7.71, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-7-[3-[cyclopropyl(hydroxy)methyl]-5-ethyl-1-methylpyrazol-4-yl]-3-[3-(6-fluoronaphthalen-1-yl)oxypropyl]-1H-indole-2-carboxylate is sourced from PubChem (CID 142591813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).