FUQWWCOCVDBICD-UHFFFAOYSA-N

C20H13F3N6O2 — CID 118335497

IUPACN-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccc(C#N)cc12
InChIInChI=1S/C20H13F3N6O2/c1-11-15(10-31-28-11)19(30)26-18-14-6-12(7-24)2-4-16(14)29(27-18)9-13-3-5-17(25-8-13)20(21,22)23/h2-6,8,10H,9H2,1H3,(H,26,27,30)
InChIKeyFUQWWCOCVDBICD-UHFFFAOYSA-N
MW426.36 g/mol
LogP3.92
Rot. Bonds4

About FUQWWCOCVDBICD-UHFFFAOYSA-N

FUQWWCOCVDBICD-UHFFFAOYSA-N (PubChem CID 118335497) has the molecular formula C20H13F3N6O2 and a molecular weight of 426.36 g/mol. Its IUPAC name is N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameFUQWWCOCVDBICD-UHFFFAOYSA-N
PubChem CID118335497
Molecular FormulaC20H13F3N6O2
Molecular Weight426.36 g/mol
Exact Mass426.11
IUPAC NameN-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccc(C#N)cc12
InChIInChI=1S/C20H13F3N6O2/c1-11-15(10-31-28-11)19(30)26-18-14-6-12(7-24)2-4-16(14)29(27-18)9-13-3-5-17(25-8-13)20(21,22)23/h2-6,8,10H,9H2,1H3,(H,26,27,30)
InChIKeyFUQWWCOCVDBICD-UHFFFAOYSA-N
XLogP3.92
TPSA109.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of FUQWWCOCVDBICD-UHFFFAOYSA-N?
The IUPAC name of FUQWWCOCVDBICD-UHFFFAOYSA-N (CID 118335497) is N-[5-cyano-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for FUQWWCOCVDBICD-UHFFFAOYSA-N?
The canonical SMILES for FUQWWCOCVDBICD-UHFFFAOYSA-N is Cc1nocc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccc(C#N)cc12.
What is the InChIKey of FUQWWCOCVDBICD-UHFFFAOYSA-N?
The InChIKey is FUQWWCOCVDBICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N6O2/c1-11-15(10-31-28-11)19(30)26-18-14-6-12(7-24)2-4-16(14)29(27-18)9-13-3-5-17(25-8-13)20(21,22)23/h2-6,8,10H,9H2,1H3,(H,26,27,30).
What are the key properties of FUQWWCOCVDBICD-UHFFFAOYSA-N?
FUQWWCOCVDBICD-UHFFFAOYSA-N has a molecular weight of 426.36 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for FUQWWCOCVDBICD-UHFFFAOYSA-N is sourced from PubChem (CID 118335497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).