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VZJFCZLCVJXDGY-UHFFFAOYSA-N

C24H26F3N7O2 — CID 155730017

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-methyl-5-(4-propan-2-ylpiperazin-1-yl)benzimidazol-2-one
SMILESCC(C)N1CCN(c2cc3c(cc2F)n(Cc2ccc(-c4nnc(C(F)F)o4)cn2)c(=O)n3C)CC1
InChIInChI=1S/C24H26F3N7O2/c1-14(2)32-6-8-33(9-7-32)18-11-19-20(10-17(18)25)34(24(35)31(19)3)13-16-5-4-15(12-28-16)22-29-30-23(36-22)21(26)27/h4-5,10-12,14,21H,6-9,13H2,1-3H3
InChIKeyVZJFCZLCVJXDGY-UHFFFAOYSA-N
MW501.51 g/mol
LogP3.44
Rot. Bonds6

About VZJFCZLCVJXDGY-UHFFFAOYSA-N

VZJFCZLCVJXDGY-UHFFFAOYSA-N (PubChem CID 155730017) has the molecular formula C24H26F3N7O2 and a molecular weight of 501.51 g/mol. Its IUPAC name is 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-methyl-5-(4-propan-2-ylpiperazin-1-yl)benzimidazol-2-one.

Molecular Properties

Compound NameVZJFCZLCVJXDGY-UHFFFAOYSA-N
PubChem CID155730017
Molecular FormulaC24H26F3N7O2
Molecular Weight501.51 g/mol
Exact Mass501.21
IUPAC Name1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-methyl-5-(4-propan-2-ylpiperazin-1-yl)benzimidazol-2-one
SMILESCC(C)N1CCN(c2cc3c(cc2F)n(Cc2ccc(-c4nnc(C(F)F)o4)cn2)c(=O)n3C)CC1
InChIInChI=1S/C24H26F3N7O2/c1-14(2)32-6-8-33(9-7-32)18-11-19-20(10-17(18)25)34(24(35)31(19)3)13-16-5-4-15(12-28-16)22-29-30-23(36-22)21(26)27/h4-5,10-12,14,21H,6-9,13H2,1-3H3
InChIKeyVZJFCZLCVJXDGY-UHFFFAOYSA-N
XLogP3.44
TPSA85.22 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.51
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of VZJFCZLCVJXDGY-UHFFFAOYSA-N?
The IUPAC name of VZJFCZLCVJXDGY-UHFFFAOYSA-N (CID 155730017) is 1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-6-fluoro-3-methyl-5-(4-propan-2-ylpiperazin-1-yl)benzimidazol-2-one.
What is the SMILES notation for VZJFCZLCVJXDGY-UHFFFAOYSA-N?
The canonical SMILES for VZJFCZLCVJXDGY-UHFFFAOYSA-N is CC(C)N1CCN(c2cc3c(cc2F)n(Cc2ccc(-c4nnc(C(F)F)o4)cn2)c(=O)n3C)CC1.
What is the InChIKey of VZJFCZLCVJXDGY-UHFFFAOYSA-N?
The InChIKey is VZJFCZLCVJXDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N7O2/c1-14(2)32-6-8-33(9-7-32)18-11-19-20(10-17(18)25)34(24(35)31(19)3)13-16-5-4-15(12-28-16)22-29-30-23(36-22)21(26)27/h4-5,10-12,14,21H,6-9,13H2,1-3H3.
What are the key properties of VZJFCZLCVJXDGY-UHFFFAOYSA-N?
VZJFCZLCVJXDGY-UHFFFAOYSA-N has a molecular weight of 501.51 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for VZJFCZLCVJXDGY-UHFFFAOYSA-N is sourced from PubChem (CID 155730017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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