1-[2-[cyclopropyl-[2-(3-ethyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide

C23H24FN5O3 — CID 130299510

IUPAC1-[2-[cyclopropyl-[2-(3-ethyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide
SMILESCCc1cccc(NC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)C2CC2)c1F
InChIInChI=1S/C23H24FN5O3/c1-2-14-6-5-8-17(21(14)24)26-19(30)12-28(15-10-11-15)20(31)13-29-18-9-4-3-7-16(18)22(27-29)23(25)32/h3-9,15H,2,10-13H2,1H3,(H2,25,32)(H,26,30)
InChIKeyKGZONECSBPWZRZ-UHFFFAOYSA-N
MW437.48 g/mol
LogP2.47
Rot. Bonds8

About 1-[2-[cyclopropyl-[2-(3-ethyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide

1-[2-[cyclopropyl-[2-(3-ethyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 130299510) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is 1-[2-[cyclopropyl-[2-(3-ethyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[cyclopropyl-[2-(3-ethyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide
PubChem CID130299510
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC Name1-[2-[cyclopropyl-[2-(3-ethyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide
SMILESCCc1cccc(NC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)C2CC2)c1F
InChIInChI=1S/C23H24FN5O3/c1-2-14-6-5-8-17(21(14)24)26-19(30)12-28(15-10-11-15)20(31)13-29-18-9-4-3-7-16(18)22(27-29)23(25)32/h3-9,15H,2,10-13H2,1H3,(H2,25,32)(H,26,30)
InChIKeyKGZONECSBPWZRZ-UHFFFAOYSA-N
XLogP2.47
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[cyclopropyl-[2-(3-ethyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl-[2-(3-ethyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 1-[2-[cyclopropyl-[2-(3-ethyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide (CID 130299510) is 1-[2-[cyclopropyl-[2-(3-ethyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[2-[cyclopropyl-[2-(3-ethyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 1-[2-[cyclopropyl-[2-(3-ethyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide is CCc1cccc(NC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)C2CC2)c1F.
What is the InChIKey of 1-[2-[cyclopropyl-[2-(3-ethyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is KGZONECSBPWZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-2-14-6-5-8-17(21(14)24)26-19(30)12-28(15-10-11-15)20(31)13-29-18-9-4-3-7-16(18)22(27-29)23(25)32/h3-9,15H,2,10-13H2,1H3,(H2,25,32)(H,26,30).
What are the key properties of 1-[2-[cyclopropyl-[2-(3-ethyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide?
1-[2-[cyclopropyl-[2-(3-ethyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 437.48 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl-[2-(3-ethyl-2-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 130299510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).