ethyl 6,7-dichloro-3-[1-[(2R)-oxan-2-yl]pyrazol-4-yl]-1H-indole-2-carboxylate

C19H19Cl2N3O3 — CID 170426796

IUPACethyl 6,7-dichloro-3-[1-[(2R)-oxan-2-yl]pyrazol-4-yl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2c(Cl)c(Cl)ccc2c1-c1cnn([C@H]2CCCCO2)c1
InChIInChI=1S/C19H19Cl2N3O3/c1-2-26-19(25)18-15(12-6-7-13(20)16(21)17(12)23-18)11-9-22-24(10-11)14-5-3-4-8-27-14/h6-7,9-10,14,23H,2-5,8H2,1H3/t14-/m1/s1
InChIKeyJKWIOIQUVLALRK-CQSZACIVSA-N
MW408.29 g/mol
LogP5.21
Rot. Bonds4

About ethyl 6,7-dichloro-3-[1-[(2R)-oxan-2-yl]pyrazol-4-yl]-1H-indole-2-carboxylate

ethyl 6,7-dichloro-3-[1-[(2R)-oxan-2-yl]pyrazol-4-yl]-1H-indole-2-carboxylate (PubChem CID 170426796) has the molecular formula C19H19Cl2N3O3 and a molecular weight of 408.29 g/mol. Its IUPAC name is ethyl 6,7-dichloro-3-[1-[(2R)-oxan-2-yl]pyrazol-4-yl]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6,7-dichloro-3-[1-[(2R)-oxan-2-yl]pyrazol-4-yl]-1H-indole-2-carboxylate
PubChem CID170426796
Molecular FormulaC19H19Cl2N3O3
Molecular Weight408.29 g/mol
Exact Mass407.08
IUPAC Nameethyl 6,7-dichloro-3-[1-[(2R)-oxan-2-yl]pyrazol-4-yl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2c(Cl)c(Cl)ccc2c1-c1cnn([C@H]2CCCCO2)c1
InChIInChI=1S/C19H19Cl2N3O3/c1-2-26-19(25)18-15(12-6-7-13(20)16(21)17(12)23-18)11-9-22-24(10-11)14-5-3-4-8-27-14/h6-7,9-10,14,23H,2-5,8H2,1H3/t14-/m1/s1
InChIKeyJKWIOIQUVLALRK-CQSZACIVSA-N
XLogP5.21
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.29
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 6,7-dichloro-3-[1-[(2R)-oxan-2-yl]pyrazol-4-yl]-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

6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole-2-carboxylic acid
CID 170427452
[6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indol-2-yl]methylurea
CID 170427525
ethyl 6,7-dichloro-1-(5-ethoxy-5-oxopentyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]indole-2-carboxylate
CID 170427081
6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]-2-(1H-1,2,4-triazol-5-yl)-1H-indole
CID 167136878
tert-butyl N-[[6,7-dichloro-1-methyl-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-2-yl]methyl]carbamate
CID 170610037
ethyl 2-[2-fluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-3,6-dihydro-2H-pyran-5-carboxylate
CID 176914505
[6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]-1-[1-(trimethylsilylmethyl)triazol-4-yl]indol-2-yl]methanol
CID 170550425
4-chloro-3-methyl-10-[1-(oxan-2-yl)pyrazol-4-yl]-8,9-dihydro-6H-pyrido[1,2-a]indol-7-one
CID 170610263
6-bromo-7-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole;ethane
CID 170610110
tert-butyl N-[6,7-dichloro-2-[2-(oxan-2-yloxy)ethyl]-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indol-4-yl]carbamate
CID 170427927
ethyl 3-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]prop-2-enoate
CID 169480906
ethyl 2-[[1-(oxan-2-yl)pyrazol-4-yl]amino]-1,3-thiazole-4-carboxylate
CID 171636974

Frequently Asked Questions

What is the IUPAC name of ethyl 6,7-dichloro-3-[1-[(2R)-oxan-2-yl]pyrazol-4-yl]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 6,7-dichloro-3-[1-[(2R)-oxan-2-yl]pyrazol-4-yl]-1H-indole-2-carboxylate (CID 170426796) is ethyl 6,7-dichloro-3-[1-[(2R)-oxan-2-yl]pyrazol-4-yl]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 6,7-dichloro-3-[1-[(2R)-oxan-2-yl]pyrazol-4-yl]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 6,7-dichloro-3-[1-[(2R)-oxan-2-yl]pyrazol-4-yl]-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2c(Cl)c(Cl)ccc2c1-c1cnn([C@H]2CCCCO2)c1.
What is the InChIKey of ethyl 6,7-dichloro-3-[1-[(2R)-oxan-2-yl]pyrazol-4-yl]-1H-indole-2-carboxylate?
The InChIKey is JKWIOIQUVLALRK-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19Cl2N3O3/c1-2-26-19(25)18-15(12-6-7-13(20)16(21)17(12)23-18)11-9-22-24(10-11)14-5-3-4-8-27-14/h6-7,9-10,14,23H,2-5,8H2,1H3/t14-/m1/s1.
What are the key properties of ethyl 6,7-dichloro-3-[1-[(2R)-oxan-2-yl]pyrazol-4-yl]-1H-indole-2-carboxylate?
ethyl 6,7-dichloro-3-[1-[(2R)-oxan-2-yl]pyrazol-4-yl]-1H-indole-2-carboxylate has a molecular weight of 408.29 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,7-dichloro-3-[1-[(2R)-oxan-2-yl]pyrazol-4-yl]-1H-indole-2-carboxylate is sourced from PubChem (CID 170426796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).