N-[7-cyclopropyl-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C22H23F3N4O2 — CID 147394543

IUPACN-[7-cyclopropyl-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)CCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)cc(C3CC3)c2n1
InChIInChI=1S/C22H23F3N4O2/c1-21(2,31)8-9-29-12-14-10-15(11-16(13-6-7-13)19(14)28-29)26-20(30)17-4-3-5-18(27-17)22(23,24)25/h3-5,10-13,31H,6-9H2,1-2H3,(H,26,30)
InChIKeyDNNOVPCZBJZEGV-UHFFFAOYSA-N
MW432.45 g/mol
LogP4.74
Rot. Bonds6

About N-[7-cyclopropyl-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[7-cyclopropyl-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 147394543) has the molecular formula C22H23F3N4O2 and a molecular weight of 432.45 g/mol. Its IUPAC name is N-[7-cyclopropyl-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[7-cyclopropyl-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID147394543
Molecular FormulaC22H23F3N4O2
Molecular Weight432.45 g/mol
Exact Mass432.18
IUPAC NameN-[7-cyclopropyl-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)CCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)cc(C3CC3)c2n1
InChIInChI=1S/C22H23F3N4O2/c1-21(2,31)8-9-29-12-14-10-15(11-16(13-6-7-13)19(14)28-29)26-20(30)17-4-3-5-18(27-17)22(23,24)25/h3-5,10-13,31H,6-9H2,1-2H3,(H,26,30)
InChIKeyDNNOVPCZBJZEGV-UHFFFAOYSA-N
XLogP4.74
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[7-cyclopropyl-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[7-cyclopropyl-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 147394543) is N-[7-cyclopropyl-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[7-cyclopropyl-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[7-cyclopropyl-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(C)(O)CCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)cc(C3CC3)c2n1.
What is the InChIKey of N-[7-cyclopropyl-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is DNNOVPCZBJZEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O2/c1-21(2,31)8-9-29-12-14-10-15(11-16(13-6-7-13)19(14)28-29)26-20(30)17-4-3-5-18(27-17)22(23,24)25/h3-5,10-13,31H,6-9H2,1-2H3,(H,26,30).
What are the key properties of N-[7-cyclopropyl-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[7-cyclopropyl-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 432.45 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-cyclopropyl-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 147394543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).