1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide

C23H25ClFN5O3 — CID 130299853

IUPAC1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide
SMILESCC(C)CN(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21
InChIInChI=1S/C23H25ClFN5O3/c1-14(2)11-29(12-19(31)27-10-15-6-5-8-17(24)21(15)25)20(32)13-30-18-9-4-3-7-16(18)22(28-30)23(26)33/h3-9,14H,10-13H2,1-2H3,(H2,26,33)(H,27,31)
InChIKeyFUWDZSSRBYVFGE-UHFFFAOYSA-N
MW473.94 g/mol
LogP2.73
Rot. Bonds9

About 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide

1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 130299853) has the molecular formula C23H25ClFN5O3 and a molecular weight of 473.94 g/mol. Its IUPAC name is 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide
PubChem CID130299853
Molecular FormulaC23H25ClFN5O3
Molecular Weight473.94 g/mol
Exact Mass473.16
IUPAC Name1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide
SMILESCC(C)CN(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21
InChIInChI=1S/C23H25ClFN5O3/c1-14(2)11-29(12-19(31)27-10-15-6-5-8-17(24)21(15)25)20(32)13-30-18-9-4-3-7-16(18)22(28-30)23(26)33/h3-9,14H,10-13H2,1-2H3,(H2,26,33)(H,27,31)
InChIKeyFUWDZSSRBYVFGE-UHFFFAOYSA-N
XLogP2.73
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.94
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide (CID 130299853) is 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide is CC(C)CN(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.
What is the InChIKey of 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is FUWDZSSRBYVFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN5O3/c1-14(2)11-29(12-19(31)27-10-15-6-5-8-17(24)21(15)25)20(32)13-30-18-9-4-3-7-16(18)22(28-30)23(26)33/h3-9,14H,10-13H2,1-2H3,(H2,26,33)(H,27,31).
What are the key properties of 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide?
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 473.94 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 130299853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).