2-methyl-5-(pyridin-2-ylmethoxy)-N-(4,4,4-trifluoro-2-hydroxybutyl)indazole-3-carboxamide

C19H19F3N4O3 — CID 170417303

IUPAC2-methyl-5-(pyridin-2-ylmethoxy)-N-(4,4,4-trifluoro-2-hydroxybutyl)indazole-3-carboxamide
SMILESCn1nc2ccc(OCc3ccccn3)cc2c1C(=O)NCC(O)CC(F)(F)F
InChIInChI=1S/C19H19F3N4O3/c1-26-17(18(28)24-10-13(27)9-19(20,21)22)15-8-14(5-6-16(15)25-26)29-11-12-4-2-3-7-23-12/h2-8,13,27H,9-11H2,1H3,(H,24,28)
InChIKeyBJYBQUBAHCBRAB-UHFFFAOYSA-N
MW408.38 g/mol
LogP2.59
Rot. Bonds7

About 2-methyl-5-(pyridin-2-ylmethoxy)-N-(4,4,4-trifluoro-2-hydroxybutyl)indazole-3-carboxamide

2-methyl-5-(pyridin-2-ylmethoxy)-N-(4,4,4-trifluoro-2-hydroxybutyl)indazole-3-carboxamide (PubChem CID 170417303) has the molecular formula C19H19F3N4O3 and a molecular weight of 408.38 g/mol. Its IUPAC name is 2-methyl-5-(pyridin-2-ylmethoxy)-N-(4,4,4-trifluoro-2-hydroxybutyl)indazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-(pyridin-2-ylmethoxy)-N-(4,4,4-trifluoro-2-hydroxybutyl)indazole-3-carboxamide
PubChem CID170417303
Molecular FormulaC19H19F3N4O3
Molecular Weight408.38 g/mol
Exact Mass408.14
IUPAC Name2-methyl-5-(pyridin-2-ylmethoxy)-N-(4,4,4-trifluoro-2-hydroxybutyl)indazole-3-carboxamide
SMILESCn1nc2ccc(OCc3ccccn3)cc2c1C(=O)NCC(O)CC(F)(F)F
InChIInChI=1S/C19H19F3N4O3/c1-26-17(18(28)24-10-13(27)9-19(20,21)22)15-8-14(5-6-16(15)25-26)29-11-12-4-2-3-7-23-12/h2-8,13,27H,9-11H2,1H3,(H,24,28)
InChIKeyBJYBQUBAHCBRAB-UHFFFAOYSA-N
XLogP2.59
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(pyridin-2-ylmethoxy)-N-(4,4,4-trifluoro-2-hydroxybutyl)indazole-3-carboxamide?
The IUPAC name of 2-methyl-5-(pyridin-2-ylmethoxy)-N-(4,4,4-trifluoro-2-hydroxybutyl)indazole-3-carboxamide (CID 170417303) is 2-methyl-5-(pyridin-2-ylmethoxy)-N-(4,4,4-trifluoro-2-hydroxybutyl)indazole-3-carboxamide.
What is the SMILES notation for 2-methyl-5-(pyridin-2-ylmethoxy)-N-(4,4,4-trifluoro-2-hydroxybutyl)indazole-3-carboxamide?
The canonical SMILES for 2-methyl-5-(pyridin-2-ylmethoxy)-N-(4,4,4-trifluoro-2-hydroxybutyl)indazole-3-carboxamide is Cn1nc2ccc(OCc3ccccn3)cc2c1C(=O)NCC(O)CC(F)(F)F.
What is the InChIKey of 2-methyl-5-(pyridin-2-ylmethoxy)-N-(4,4,4-trifluoro-2-hydroxybutyl)indazole-3-carboxamide?
The InChIKey is BJYBQUBAHCBRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O3/c1-26-17(18(28)24-10-13(27)9-19(20,21)22)15-8-14(5-6-16(15)25-26)29-11-12-4-2-3-7-23-12/h2-8,13,27H,9-11H2,1H3,(H,24,28).
What are the key properties of 2-methyl-5-(pyridin-2-ylmethoxy)-N-(4,4,4-trifluoro-2-hydroxybutyl)indazole-3-carboxamide?
2-methyl-5-(pyridin-2-ylmethoxy)-N-(4,4,4-trifluoro-2-hydroxybutyl)indazole-3-carboxamide has a molecular weight of 408.38 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(pyridin-2-ylmethoxy)-N-(4,4,4-trifluoro-2-hydroxybutyl)indazole-3-carboxamide is sourced from PubChem (CID 170417303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).