N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-ethyl-N-(1-methylindazol-6-yl)piperazine-1-carboxamide

C25H26F3N7O2 — CID 140895074

IUPACN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-ethyl-N-(1-methylindazol-6-yl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cc2F)c2ccc3cnn(C)c3c2)CC1
InChIInChI=1S/C25H26F3N7O2/c1-3-33-8-10-34(11-9-33)25(36)35(19-7-6-17-14-29-32(2)21(17)13-19)15-18-5-4-16(12-20(18)26)23-30-31-24(37-23)22(27)28/h4-7,12-14,22H,3,8-11,15H2,1-2H3
InChIKeyHEOCSJQISGOIFR-UHFFFAOYSA-N
MW513.52 g/mol
LogP4.46
Rot. Bonds6

About N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-ethyl-N-(1-methylindazol-6-yl)piperazine-1-carboxamide

N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-ethyl-N-(1-methylindazol-6-yl)piperazine-1-carboxamide (PubChem CID 140895074) has the molecular formula C25H26F3N7O2 and a molecular weight of 513.52 g/mol. Its IUPAC name is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-ethyl-N-(1-methylindazol-6-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-ethyl-N-(1-methylindazol-6-yl)piperazine-1-carboxamide
PubChem CID140895074
Molecular FormulaC25H26F3N7O2
Molecular Weight513.52 g/mol
Exact Mass513.21
IUPAC NameN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-ethyl-N-(1-methylindazol-6-yl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cc2F)c2ccc3cnn(C)c3c2)CC1
InChIInChI=1S/C25H26F3N7O2/c1-3-33-8-10-34(11-9-33)25(36)35(19-7-6-17-14-29-32(2)21(17)13-19)15-18-5-4-16(12-20(18)26)23-30-31-24(37-23)22(27)28/h4-7,12-14,22H,3,8-11,15H2,1-2H3
InChIKeyHEOCSJQISGOIFR-UHFFFAOYSA-N
XLogP4.46
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.52
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-ethyl-N-(1-methylindazol-6-yl)piperazine-1-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 N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-ethyl-N-(1-methylindazol-6-yl)piperazine-1-carboxamide?
The IUPAC name of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-ethyl-N-(1-methylindazol-6-yl)piperazine-1-carboxamide (CID 140895074) is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-ethyl-N-(1-methylindazol-6-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-ethyl-N-(1-methylindazol-6-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-ethyl-N-(1-methylindazol-6-yl)piperazine-1-carboxamide is CCN1CCN(C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cc2F)c2ccc3cnn(C)c3c2)CC1.
What is the InChIKey of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-ethyl-N-(1-methylindazol-6-yl)piperazine-1-carboxamide?
The InChIKey is HEOCSJQISGOIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N7O2/c1-3-33-8-10-34(11-9-33)25(36)35(19-7-6-17-14-29-32(2)21(17)13-19)15-18-5-4-16(12-20(18)26)23-30-31-24(37-23)22(27)28/h4-7,12-14,22H,3,8-11,15H2,1-2H3.
What are the key properties of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-ethyl-N-(1-methylindazol-6-yl)piperazine-1-carboxamide?
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-ethyl-N-(1-methylindazol-6-yl)piperazine-1-carboxamide has a molecular weight of 513.52 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-ethyl-N-(1-methylindazol-6-yl)piperazine-1-carboxamide is sourced from PubChem (CID 140895074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).