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DIPAMKKAFOKVAX-UHFFFAOYSA-N

C20H17F4N3O — CID 118872370

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

IUPAC(5-fluoro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESO=C(c1n[nH]c2ccc(F)cc12)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H17F4N3O/c21-13-5-6-17-15(11-13)18(26-25-17)19(28)27-9-7-12(8-10-27)14-3-1-2-4-16(14)20(22,23)24/h1-6,11-12H,7-10H2,(H,25,26)
InChIKeyDIPAMKKAFOKVAX-UHFFFAOYSA-N
MW391.37 g/mol
LogP4.74
Rot. Bonds2

About DIPAMKKAFOKVAX-UHFFFAOYSA-N

DIPAMKKAFOKVAX-UHFFFAOYSA-N (PubChem CID 118872370) has the molecular formula C20H17F4N3O and a molecular weight of 391.37 g/mol. Its IUPAC name is (5-fluoro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound NameDIPAMKKAFOKVAX-UHFFFAOYSA-N
PubChem CID118872370
Molecular FormulaC20H17F4N3O
Molecular Weight391.37 g/mol
Exact Mass391.13
IUPAC Name(5-fluoro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESO=C(c1n[nH]c2ccc(F)cc12)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H17F4N3O/c21-13-5-6-17-15(11-13)18(26-25-17)19(28)27-9-7-12(8-10-27)14-3-1-2-4-16(14)20(22,23)24/h1-6,11-12H,7-10H2,(H,25,26)
InChIKeyDIPAMKKAFOKVAX-UHFFFAOYSA-N
XLogP4.74
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of DIPAMKKAFOKVAX-UHFFFAOYSA-N?
The IUPAC name of DIPAMKKAFOKVAX-UHFFFAOYSA-N (CID 118872370) is (5-fluoro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for DIPAMKKAFOKVAX-UHFFFAOYSA-N?
The canonical SMILES for DIPAMKKAFOKVAX-UHFFFAOYSA-N is O=C(c1n[nH]c2ccc(F)cc12)N1CCC(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of DIPAMKKAFOKVAX-UHFFFAOYSA-N?
The InChIKey is DIPAMKKAFOKVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4N3O/c21-13-5-6-17-15(11-13)18(26-25-17)19(28)27-9-7-12(8-10-27)14-3-1-2-4-16(14)20(22,23)24/h1-6,11-12H,7-10H2,(H,25,26).
What are the key properties of DIPAMKKAFOKVAX-UHFFFAOYSA-N?
DIPAMKKAFOKVAX-UHFFFAOYSA-N has a molecular weight of 391.37 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for DIPAMKKAFOKVAX-UHFFFAOYSA-N is sourced from PubChem (CID 118872370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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