1-N'-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]cyclopropane-1,1-dicarboxamide

C17H19F3N4O3 — CID 70763494

IUPAC1-N'-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]cyclopropane-1,1-dicarboxamide
SMILESCC(C)Oc1ccc2c(NC(=O)C3(C(N)=O)CC3)nn(CC(F)(F)F)c2c1
InChIInChI=1S/C17H19F3N4O3/c1-9(2)27-10-3-4-11-12(7-10)24(8-17(18,19)20)23-13(11)22-15(26)16(5-6-16)14(21)25/h3-4,7,9H,5-6,8H2,1-2H3,(H2,21,25)(H,22,23,26)
InChIKeyHKWFGHZJTDSSCT-UHFFFAOYSA-N
MW384.36 g/mol
LogP2.59
Rot. Bonds6

About 1-N'-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]cyclopropane-1,1-dicarboxamide

1-N'-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]cyclopropane-1,1-dicarboxamide (PubChem CID 70763494) has the molecular formula C17H19F3N4O3 and a molecular weight of 384.36 g/mol. Its IUPAC name is 1-N'-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]cyclopropane-1,1-dicarboxamide
PubChem CID70763494
Molecular FormulaC17H19F3N4O3
Molecular Weight384.36 g/mol
Exact Mass384.14
IUPAC Name1-N'-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]cyclopropane-1,1-dicarboxamide
SMILESCC(C)Oc1ccc2c(NC(=O)C3(C(N)=O)CC3)nn(CC(F)(F)F)c2c1
InChIInChI=1S/C17H19F3N4O3/c1-9(2)27-10-3-4-11-12(7-10)24(8-17(18,19)20)23-13(11)22-15(26)16(5-6-16)14(21)25/h3-4,7,9H,5-6,8H2,1-2H3,(H2,21,25)(H,22,23,26)
InChIKeyHKWFGHZJTDSSCT-UHFFFAOYSA-N
XLogP2.59
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-N'-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]cyclopropane-1,1-dicarboxamide 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-N'-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]cyclopropane-1,1-dicarboxamide (CID 70763494) is 1-N'-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]cyclopropane-1,1-dicarboxamide is CC(C)Oc1ccc2c(NC(=O)C3(C(N)=O)CC3)nn(CC(F)(F)F)c2c1.
What is the InChIKey of 1-N'-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]cyclopropane-1,1-dicarboxamide?
The InChIKey is HKWFGHZJTDSSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O3/c1-9(2)27-10-3-4-11-12(7-10)24(8-17(18,19)20)23-13(11)22-15(26)16(5-6-16)14(21)25/h3-4,7,9H,5-6,8H2,1-2H3,(H2,21,25)(H,22,23,26).
What are the key properties of 1-N'-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]cyclopropane-1,1-dicarboxamide?
1-N'-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]cyclopropane-1,1-dicarboxamide has a molecular weight of 384.36 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 70763494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).