1-[2-[[5-(3-chloro-2-fluorophenyl)-2-ethyl-4-oxopentyl]amino]-2-oxoethyl]indazole-3-carboxamide

C23H24ClFN4O3 — CID 139507757

IUPAC1-[2-[[5-(3-chloro-2-fluorophenyl)-2-ethyl-4-oxopentyl]amino]-2-oxoethyl]indazole-3-carboxamide
SMILESCCC(CNC(=O)Cn1nc(C(N)=O)c2ccccc21)CC(=O)Cc1cccc(Cl)c1F
InChIInChI=1S/C23H24ClFN4O3/c1-2-14(10-16(30)11-15-6-5-8-18(24)21(15)25)12-27-20(31)13-29-19-9-4-3-7-17(19)22(28-29)23(26)32/h3-9,14H,2,10-13H2,1H3,(H2,26,32)(H,27,31)
InChIKeyPUNFOIPHYKJHQM-UHFFFAOYSA-N
MW458.92 g/mol
LogP3.27
Rot. Bonds10

About 1-[2-[[5-(3-chloro-2-fluorophenyl)-2-ethyl-4-oxopentyl]amino]-2-oxoethyl]indazole-3-carboxamide

1-[2-[[5-(3-chloro-2-fluorophenyl)-2-ethyl-4-oxopentyl]amino]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 139507757) has the molecular formula C23H24ClFN4O3 and a molecular weight of 458.92 g/mol. Its IUPAC name is 1-[2-[[5-(3-chloro-2-fluorophenyl)-2-ethyl-4-oxopentyl]amino]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[[5-(3-chloro-2-fluorophenyl)-2-ethyl-4-oxopentyl]amino]-2-oxoethyl]indazole-3-carboxamide
PubChem CID139507757
Molecular FormulaC23H24ClFN4O3
Molecular Weight458.92 g/mol
Exact Mass458.15
IUPAC Name1-[2-[[5-(3-chloro-2-fluorophenyl)-2-ethyl-4-oxopentyl]amino]-2-oxoethyl]indazole-3-carboxamide
SMILESCCC(CNC(=O)Cn1nc(C(N)=O)c2ccccc21)CC(=O)Cc1cccc(Cl)c1F
InChIInChI=1S/C23H24ClFN4O3/c1-2-14(10-16(30)11-15-6-5-8-18(24)21(15)25)12-27-20(31)13-29-19-9-4-3-7-17(19)22(28-29)23(26)32/h3-9,14H,2,10-13H2,1H3,(H2,26,32)(H,27,31)
InChIKeyPUNFOIPHYKJHQM-UHFFFAOYSA-N
XLogP3.27
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.92
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(3-chloro-2-fluorophenyl)-2-ethyl-4-oxopentyl]amino]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 1-[2-[[5-(3-chloro-2-fluorophenyl)-2-ethyl-4-oxopentyl]amino]-2-oxoethyl]indazole-3-carboxamide (CID 139507757) is 1-[2-[[5-(3-chloro-2-fluorophenyl)-2-ethyl-4-oxopentyl]amino]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[2-[[5-(3-chloro-2-fluorophenyl)-2-ethyl-4-oxopentyl]amino]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 1-[2-[[5-(3-chloro-2-fluorophenyl)-2-ethyl-4-oxopentyl]amino]-2-oxoethyl]indazole-3-carboxamide is CCC(CNC(=O)Cn1nc(C(N)=O)c2ccccc21)CC(=O)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-[2-[[5-(3-chloro-2-fluorophenyl)-2-ethyl-4-oxopentyl]amino]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is PUNFOIPHYKJHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O3/c1-2-14(10-16(30)11-15-6-5-8-18(24)21(15)25)12-27-20(31)13-29-19-9-4-3-7-17(19)22(28-29)23(26)32/h3-9,14H,2,10-13H2,1H3,(H2,26,32)(H,27,31).
What are the key properties of 1-[2-[[5-(3-chloro-2-fluorophenyl)-2-ethyl-4-oxopentyl]amino]-2-oxoethyl]indazole-3-carboxamide?
1-[2-[[5-(3-chloro-2-fluorophenyl)-2-ethyl-4-oxopentyl]amino]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 458.92 g/mol, XLogP of 3.27, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(3-chloro-2-fluorophenyl)-2-ethyl-4-oxopentyl]amino]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 139507757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).