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

C25H25F3N6O2 — CID 140894703

IUPACN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindol-4-yl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cc2F)c2cccc3c2ccn3C)CC1
InChIInChI=1S/C25H25F3N6O2/c1-31-10-12-33(13-11-31)25(35)34(21-5-3-4-20-18(21)8-9-32(20)2)15-17-7-6-16(14-19(17)26)23-29-30-24(36-23)22(27)28/h3-9,14,22H,10-13,15H2,1-2H3
InChIKeyILVZNBSHRCXKFE-UHFFFAOYSA-N
MW498.51 g/mol
LogP4.68
Rot. Bonds5

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

N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindol-4-yl)piperazine-1-carboxamide (PubChem CID 140894703) has the molecular formula C25H25F3N6O2 and a molecular weight of 498.51 g/mol. Its IUPAC name is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindol-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindol-4-yl)piperazine-1-carboxamide
PubChem CID140894703
Molecular FormulaC25H25F3N6O2
Molecular Weight498.51 g/mol
Exact Mass498.20
IUPAC NameN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindol-4-yl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cc2F)c2cccc3c2ccn3C)CC1
InChIInChI=1S/C25H25F3N6O2/c1-31-10-12-33(13-11-31)25(35)34(21-5-3-4-20-18(21)8-9-32(20)2)15-17-7-6-16(14-19(17)26)23-29-30-24(36-23)22(27)28/h3-9,14,22H,10-13,15H2,1-2H3
InChIKeyILVZNBSHRCXKFE-UHFFFAOYSA-N
XLogP4.68
TPSA70.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.51
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindol-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindol-4-yl)piperazine-1-carboxamide (CID 140894703) is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindol-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindol-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindol-4-yl)piperazine-1-carboxamide is CN1CCN(C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cc2F)c2cccc3c2ccn3C)CC1.
What is the InChIKey of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindol-4-yl)piperazine-1-carboxamide?
The InChIKey is ILVZNBSHRCXKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N6O2/c1-31-10-12-33(13-11-31)25(35)34(21-5-3-4-20-18(21)8-9-32(20)2)15-17-7-6-16(14-19(17)26)23-29-30-24(36-23)22(27)28/h3-9,14,22H,10-13,15H2,1-2H3.
What are the key properties of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindol-4-yl)piperazine-1-carboxamide?
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindol-4-yl)piperazine-1-carboxamide has a molecular weight of 498.51 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 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-methyl-N-(1-methylindol-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 140894703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).