4-methyl-N-(1,3-oxazol-2-ylmethyl)-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide

C22H16F3N5O3 — CID 164907414

IUPAC4-methyl-N-(1,3-oxazol-2-ylmethyl)-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide
SMILESCc1cc2oc(C(=O)NCc3ncco3)c(C(F)(F)F)c2c2nn(Cc3ccccn3)cc12
InChIInChI=1S/C22H16F3N5O3/c1-12-8-15-17(19-14(12)11-30(29-19)10-13-4-2-3-5-26-13)18(22(23,24)25)20(33-15)21(31)28-9-16-27-6-7-32-16/h2-8,11H,9-10H2,1H3,(H,28,31)
InChIKeyDIJSLCITIBXXQK-UHFFFAOYSA-N
MW455.40 g/mol
LogP4.47
Rot. Bonds5

About 4-methyl-N-(1,3-oxazol-2-ylmethyl)-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide

4-methyl-N-(1,3-oxazol-2-ylmethyl)-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide (PubChem CID 164907414) has the molecular formula C22H16F3N5O3 and a molecular weight of 455.40 g/mol. Its IUPAC name is 4-methyl-N-(1,3-oxazol-2-ylmethyl)-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(1,3-oxazol-2-ylmethyl)-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide
PubChem CID164907414
Molecular FormulaC22H16F3N5O3
Molecular Weight455.40 g/mol
Exact Mass455.12
IUPAC Name4-methyl-N-(1,3-oxazol-2-ylmethyl)-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide
SMILESCc1cc2oc(C(=O)NCc3ncco3)c(C(F)(F)F)c2c2nn(Cc3ccccn3)cc12
InChIInChI=1S/C22H16F3N5O3/c1-12-8-15-17(19-14(12)11-30(29-19)10-13-4-2-3-5-26-13)18(22(23,24)25)20(33-15)21(31)28-9-16-27-6-7-32-16/h2-8,11H,9-10H2,1H3,(H,28,31)
InChIKeyDIJSLCITIBXXQK-UHFFFAOYSA-N
XLogP4.47
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1,3-oxazol-2-ylmethyl)-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide?
The IUPAC name of 4-methyl-N-(1,3-oxazol-2-ylmethyl)-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide (CID 164907414) is 4-methyl-N-(1,3-oxazol-2-ylmethyl)-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide.
What is the SMILES notation for 4-methyl-N-(1,3-oxazol-2-ylmethyl)-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide?
The canonical SMILES for 4-methyl-N-(1,3-oxazol-2-ylmethyl)-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide is Cc1cc2oc(C(=O)NCc3ncco3)c(C(F)(F)F)c2c2nn(Cc3ccccn3)cc12.
What is the InChIKey of 4-methyl-N-(1,3-oxazol-2-ylmethyl)-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide?
The InChIKey is DIJSLCITIBXXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O3/c1-12-8-15-17(19-14(12)11-30(29-19)10-13-4-2-3-5-26-13)18(22(23,24)25)20(33-15)21(31)28-9-16-27-6-7-32-16/h2-8,11H,9-10H2,1H3,(H,28,31).
What are the key properties of 4-methyl-N-(1,3-oxazol-2-ylmethyl)-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide?
4-methyl-N-(1,3-oxazol-2-ylmethyl)-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide has a molecular weight of 455.40 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1,3-oxazol-2-ylmethyl)-2-(pyridin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide is sourced from PubChem (CID 164907414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).