ethyl 2-[5-chloro-3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]indazol-1-yl]acetate

C24H25ClFN3O3 — CID 123950684

IUPACethyl 2-[5-chloro-3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]indazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(-c2ccc(F)cc2CN(CC)C(=O)C2CC2)c2cc(Cl)ccc21
InChIInChI=1S/C24H25ClFN3O3/c1-3-28(24(31)15-5-6-15)13-16-11-18(26)8-9-19(16)23-20-12-17(25)7-10-21(20)29(27-23)14-22(30)32-4-2/h7-12,15H,3-6,13-14H2,1-2H3
InChIKeyKFCHGKXKFVPDAD-UHFFFAOYSA-N
MW457.93 g/mol
LogP4.82
Rot. Bonds8

About ethyl 2-[5-chloro-3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]indazol-1-yl]acetate

ethyl 2-[5-chloro-3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]indazol-1-yl]acetate (PubChem CID 123950684) has the molecular formula C24H25ClFN3O3 and a molecular weight of 457.93 g/mol. Its IUPAC name is ethyl 2-[5-chloro-3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]indazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-chloro-3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]indazol-1-yl]acetate
PubChem CID123950684
Molecular FormulaC24H25ClFN3O3
Molecular Weight457.93 g/mol
Exact Mass457.16
IUPAC Nameethyl 2-[5-chloro-3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]indazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(-c2ccc(F)cc2CN(CC)C(=O)C2CC2)c2cc(Cl)ccc21
InChIInChI=1S/C24H25ClFN3O3/c1-3-28(24(31)15-5-6-15)13-16-11-18(26)8-9-19(16)23-20-12-17(25)7-10-21(20)29(27-23)14-22(30)32-4-2/h7-12,15H,3-6,13-14H2,1-2H3
InChIKeyKFCHGKXKFVPDAD-UHFFFAOYSA-N
XLogP4.82
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.93
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-5-fluoroindazol-1-yl]acetic acid
CID 71222559
tert-butyl 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyindazol-1-yl]acetate
CID 123753049
ethyl 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]phenyl]acetate
CID 66605234
2-[5-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]-3-pyridinyl]propanoic acid
CID 58565033
ethyl 2-[3-[4-bromo-2-[[cyclopropanecarbonyl(ethyl)amino]methyl]phenyl]-4-methoxyphenyl]acetate
CID 58149020
N-ethyl-N-[[2-(2-methoxyphenyl)-5-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide
CID 141371737
2-[4-cyano-3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]indazol-1-yl]acetic acid
CID 71223491
methyl 2-[4-chloro-3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]indazol-1-yl]propanoate
CID 71223582
ethyl 2-[7-chloro-4-(dimethylamino)-1-oxophthalazin-2-yl]acetate
CID 171770484
ethyl 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]phenyl]-4-methoxy-5-(trifluoromethyl)phenyl]acetate
CID 68639860
ethyl 2-[3-[4-[(4-chlorobenzoyl)amino]-2-[[cyclopropanecarbonyl(ethyl)amino]methyl]phenoxy]-4-methoxyphenyl]acetate
CID 58288521
methyl 2-[3-chloro-5-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]phenyl]acetate
CID 66607932

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-chloro-3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]indazol-1-yl]acetate?
The IUPAC name of ethyl 2-[5-chloro-3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]indazol-1-yl]acetate (CID 123950684) is ethyl 2-[5-chloro-3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]indazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[5-chloro-3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]indazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[5-chloro-3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]indazol-1-yl]acetate is CCOC(=O)Cn1nc(-c2ccc(F)cc2CN(CC)C(=O)C2CC2)c2cc(Cl)ccc21.
What is the InChIKey of ethyl 2-[5-chloro-3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]indazol-1-yl]acetate?
The InChIKey is KFCHGKXKFVPDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN3O3/c1-3-28(24(31)15-5-6-15)13-16-11-18(26)8-9-19(16)23-20-12-17(25)7-10-21(20)29(27-23)14-22(30)32-4-2/h7-12,15H,3-6,13-14H2,1-2H3.
What are the key properties of ethyl 2-[5-chloro-3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]indazol-1-yl]acetate?
ethyl 2-[5-chloro-3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]indazol-1-yl]acetate has a molecular weight of 457.93 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-chloro-3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-fluorophenyl]indazol-1-yl]acetate is sourced from PubChem (CID 123950684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).