methyl 1-(2-chloro-6-cyclopropylbenzoyl)-3-ethylindazole-6-carboxylate

C21H19ClN2O3 — CID 123804956

IUPACmethyl 1-(2-chloro-6-cyclopropylbenzoyl)-3-ethylindazole-6-carboxylate
SMILESCCc1nn(C(=O)c2c(Cl)cccc2C2CC2)c2cc(C(=O)OC)ccc12
InChIInChI=1S/C21H19ClN2O3/c1-3-17-15-10-9-13(21(26)27-2)11-18(15)24(23-17)20(25)19-14(12-7-8-12)5-4-6-16(19)22/h4-6,9-12H,3,7-8H2,1-2H3
InChIKeyIKCMXQOSLAKARH-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.60
Rot. Bonds4

About methyl 1-(2-chloro-6-cyclopropylbenzoyl)-3-ethylindazole-6-carboxylate

methyl 1-(2-chloro-6-cyclopropylbenzoyl)-3-ethylindazole-6-carboxylate (PubChem CID 123804956) has the molecular formula C21H19ClN2O3 and a molecular weight of 382.85 g/mol. Its IUPAC name is methyl 1-(2-chloro-6-cyclopropylbenzoyl)-3-ethylindazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-chloro-6-cyclopropylbenzoyl)-3-ethylindazole-6-carboxylate
PubChem CID123804956
Molecular FormulaC21H19ClN2O3
Molecular Weight382.85 g/mol
Exact Mass382.11
IUPAC Namemethyl 1-(2-chloro-6-cyclopropylbenzoyl)-3-ethylindazole-6-carboxylate
SMILESCCc1nn(C(=O)c2c(Cl)cccc2C2CC2)c2cc(C(=O)OC)ccc12
InChIInChI=1S/C21H19ClN2O3/c1-3-17-15-10-9-13(21(26)27-2)11-18(15)24(23-17)20(25)19-14(12-7-8-12)5-4-6-16(19)22/h4-6,9-12H,3,7-8H2,1-2H3
InChIKeyIKCMXQOSLAKARH-UHFFFAOYSA-N
XLogP4.60
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(2-chloro-6-cyclopropylbenzoyl)-3-(2-fluoro-4-methoxycarbonylphenyl)-4,5,6,7-tetrahydroindazole-6-carboxylate
CID 122458069
methyl 4-[1-(2-chloro-6-cyclopropylbenzoyl)-6-(oxetan-3-ylamino)-4,5,6,7-tetrahydroindazol-3-yl]-3-fluorobenzoate
CID 122492997
(1R)-4-[1-(2-chloro-6-cyclopropylbenzoyl)-6-(3-methoxyazetidine-1-carbonyl)indazol-3-yl]-1-methylcyclohex-3-ene-1-carboxylic acid
CID 118208423
(1S)-4-[1-(2-chloro-6-cyclopropylbenzoyl)-6-(3-methoxyazetidine-1-carbonyl)indazol-3-yl]-1-methylcyclohex-3-ene-1-carboxylic acid
CID 118208424
methyl (6S)-1-(2-chloro-6-cyclopropylbenzoyl)-3-iodo-4,5,6,7-tetrahydroindazole-6-carboxylate
CID 122492615
tert-butyl (1S)-4-[1-(2-chloro-6-cyclopropylbenzoyl)-6-(3-methylazetidine-1-carbonyl)indazol-3-yl]cyclohex-3-ene-1-carboxylate
CID 118215981
methyl 4-[1-(2-chloro-6-methylbenzoyl)-6-ethynylindazol-3-yl]benzoate
CID 118285941
(2-chloro-6-cyclopropylphenyl)-(3-iodo-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl)methanone
CID 129091761
(2-chloro-6-cyclopropylphenyl)-[6-(hydroxymethyl)-3-iodo-6-methyl-5,7-dihydro-4H-indazol-1-yl]methanone
CID 129091620
1-[(6S)-1-(2-chloro-6-cyclopropylbenzoyl)-3-iodo-4,5,6,7-tetrahydroindazol-6-yl]ethanone
CID 134168026
1-(2-chloro-6-methylbenzoyl)-3-iodoindazole-6-carbohydrazide
CID 118285958
methyl 4-[6-(aminomethyl)-1-[2-chloro-6-(trifluoromethyl)benzoyl]indazol-3-yl]benzoate
CID 90039032

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-chloro-6-cyclopropylbenzoyl)-3-ethylindazole-6-carboxylate?
The IUPAC name of methyl 1-(2-chloro-6-cyclopropylbenzoyl)-3-ethylindazole-6-carboxylate (CID 123804956) is methyl 1-(2-chloro-6-cyclopropylbenzoyl)-3-ethylindazole-6-carboxylate.
What is the SMILES notation for methyl 1-(2-chloro-6-cyclopropylbenzoyl)-3-ethylindazole-6-carboxylate?
The canonical SMILES for methyl 1-(2-chloro-6-cyclopropylbenzoyl)-3-ethylindazole-6-carboxylate is CCc1nn(C(=O)c2c(Cl)cccc2C2CC2)c2cc(C(=O)OC)ccc12.
What is the InChIKey of methyl 1-(2-chloro-6-cyclopropylbenzoyl)-3-ethylindazole-6-carboxylate?
The InChIKey is IKCMXQOSLAKARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3/c1-3-17-15-10-9-13(21(26)27-2)11-18(15)24(23-17)20(25)19-14(12-7-8-12)5-4-6-16(19)22/h4-6,9-12H,3,7-8H2,1-2H3.
What are the key properties of methyl 1-(2-chloro-6-cyclopropylbenzoyl)-3-ethylindazole-6-carboxylate?
methyl 1-(2-chloro-6-cyclopropylbenzoyl)-3-ethylindazole-6-carboxylate has a molecular weight of 382.85 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-chloro-6-cyclopropylbenzoyl)-3-ethylindazole-6-carboxylate is sourced from PubChem (CID 123804956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).