5-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-N-methylindazole-3-carboxamide

C23H21FN4O2 — CID 56963523

IUPAC5-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-N-methylindazole-3-carboxamide
SMILESCNC(=O)c1c2cc(C3CC3)c(-c3c(C)noc3C)cc2nn1-c1ccc(F)cc1
InChIInChI=1S/C23H21FN4O2/c1-12-21(13(2)30-27-12)18-11-20-19(10-17(18)14-4-5-14)22(23(29)25-3)28(26-20)16-8-6-15(24)7-9-16/h6-11,14H,4-5H2,1-3H3,(H,25,29)
InChIKeyFYLZOZYHPGBLHA-UHFFFAOYSA-N
MW404.45 g/mol
LogP4.67
Rot. Bonds4

About 5-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-N-methylindazole-3-carboxamide

5-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-N-methylindazole-3-carboxamide (PubChem CID 56963523) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 5-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-N-methylindazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-N-methylindazole-3-carboxamide
PubChem CID56963523
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name5-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-N-methylindazole-3-carboxamide
SMILESCNC(=O)c1c2cc(C3CC3)c(-c3c(C)noc3C)cc2nn1-c1ccc(F)cc1
InChIInChI=1S/C23H21FN4O2/c1-12-21(13(2)30-27-12)18-11-20-19(10-17(18)14-4-5-14)22(23(29)25-3)28(26-20)16-8-6-15(24)7-9-16/h6-11,14H,4-5H2,1-3H3,(H,25,29)
InChIKeyFYLZOZYHPGBLHA-UHFFFAOYSA-N
XLogP4.67
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-N-methylindazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-N-methylindazole-3-carboxamide (CID 56963523) is 5-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-N-methylindazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-N-methylindazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-N-methylindazole-3-carboxamide is CNC(=O)c1c2cc(C3CC3)c(-c3c(C)noc3C)cc2nn1-c1ccc(F)cc1.
What is the InChIKey of 5-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-N-methylindazole-3-carboxamide?
The InChIKey is FYLZOZYHPGBLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-12-21(13(2)30-27-12)18-11-20-19(10-17(18)14-4-5-14)22(23(29)25-3)28(26-20)16-8-6-15(24)7-9-16/h6-11,14H,4-5H2,1-3H3,(H,25,29).
What are the key properties of 5-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-N-methylindazole-3-carboxamide?
5-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-N-methylindazole-3-carboxamide has a molecular weight of 404.45 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4-fluorophenyl)-N-methylindazole-3-carboxamide is sourced from PubChem (CID 56963523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).