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

C24H24F3N7O2 — CID 140894872

IUPACN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindazol-6-yl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cc2F)c2ccc3cnn(C)c3c2)CC1
InChIInChI=1S/C24H24F3N7O2/c1-31-7-9-33(10-8-31)24(35)34(18-6-5-16-13-28-32(2)20(16)12-18)14-17-4-3-15(11-19(17)25)22-29-30-23(36-22)21(26)27/h3-6,11-13,21H,7-10,14H2,1-2H3
InChIKeyDKMCDVOBBATXPS-UHFFFAOYSA-N
MW499.50 g/mol
LogP4.07
Rot. Bonds5

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

N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindazol-6-yl)piperazine-1-carboxamide (PubChem CID 140894872) has the molecular formula C24H24F3N7O2 and a molecular weight of 499.50 g/mol. Its IUPAC name is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-methyl-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-methyl-N-(1-methylindazol-6-yl)piperazine-1-carboxamide
PubChem CID140894872
Molecular FormulaC24H24F3N7O2
Molecular Weight499.50 g/mol
Exact Mass499.19
IUPAC NameN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindazol-6-yl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cc2F)c2ccc3cnn(C)c3c2)CC1
InChIInChI=1S/C24H24F3N7O2/c1-31-7-9-33(10-8-31)24(35)34(18-6-5-16-13-28-32(2)20(16)12-18)14-17-4-3-15(11-19(17)25)22-29-30-23(36-22)21(26)27/h3-6,11-13,21H,7-10,14H2,1-2H3
InChIKeyDKMCDVOBBATXPS-UHFFFAOYSA-N
XLogP4.07
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.50
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-methylindazol-6-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-methylindazol-6-yl)piperazine-1-carboxamide (CID 140894872) is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-methyl-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-methyl-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-methyl-N-(1-methylindazol-6-yl)piperazine-1-carboxamide is CN1CCN(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-methyl-N-(1-methylindazol-6-yl)piperazine-1-carboxamide?
The InChIKey is DKMCDVOBBATXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7O2/c1-31-7-9-33(10-8-31)24(35)34(18-6-5-16-13-28-32(2)20(16)12-18)14-17-4-3-15(11-19(17)25)22-29-30-23(36-22)21(26)27/h3-6,11-13,21H,7-10,14H2,1-2H3.
What are the key properties of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindazol-6-yl)piperazine-1-carboxamide?
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindazol-6-yl)piperazine-1-carboxamide has a molecular weight of 499.50 g/mol, XLogP of 4.07, 5 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-methyl-N-(1-methylindazol-6-yl)piperazine-1-carboxamide is sourced from PubChem (CID 140894872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).