N-[6-(hydroxymethyl)-2-(3-methoxypropyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C19H19F3N4O3 — CID 121364947

IUPACN-[6-(hydroxymethyl)-2-(3-methoxypropyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOCCCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(CO)cc2n1
InChIInChI=1S/C19H19F3N4O3/c1-29-7-3-6-26-10-12-8-15(13(11-27)9-16(12)25-26)24-18(28)14-4-2-5-17(23-14)19(20,21)22/h2,4-5,8-10,27H,3,6-7,11H2,1H3,(H,24,28)
InChIKeyORYDQYYBRXGJBR-UHFFFAOYSA-N
MW408.38 g/mol
LogP3.23
Rot. Bonds7

About N-[6-(hydroxymethyl)-2-(3-methoxypropyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[6-(hydroxymethyl)-2-(3-methoxypropyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 121364947) has the molecular formula C19H19F3N4O3 and a molecular weight of 408.38 g/mol. Its IUPAC name is N-[6-(hydroxymethyl)-2-(3-methoxypropyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(hydroxymethyl)-2-(3-methoxypropyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID121364947
Molecular FormulaC19H19F3N4O3
Molecular Weight408.38 g/mol
Exact Mass408.14
IUPAC NameN-[6-(hydroxymethyl)-2-(3-methoxypropyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCOCCCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(CO)cc2n1
InChIInChI=1S/C19H19F3N4O3/c1-29-7-3-6-26-10-12-8-15(13(11-27)9-16(12)25-26)24-18(28)14-4-2-5-17(23-14)19(20,21)22/h2,4-5,8-10,27H,3,6-7,11H2,1H3,(H,24,28)
InChIKeyORYDQYYBRXGJBR-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(hydroxymethyl)-2-(3-methoxypropyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-(hydroxymethyl)-2-(3-methoxypropyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 121364947) is N-[6-(hydroxymethyl)-2-(3-methoxypropyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(hydroxymethyl)-2-(3-methoxypropyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-(hydroxymethyl)-2-(3-methoxypropyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is COCCCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(CO)cc2n1.
What is the InChIKey of N-[6-(hydroxymethyl)-2-(3-methoxypropyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is ORYDQYYBRXGJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O3/c1-29-7-3-6-26-10-12-8-15(13(11-27)9-16(12)25-26)24-18(28)14-4-2-5-17(23-14)19(20,21)22/h2,4-5,8-10,27H,3,6-7,11H2,1H3,(H,24,28).
What are the key properties of N-[6-(hydroxymethyl)-2-(3-methoxypropyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[6-(hydroxymethyl)-2-(3-methoxypropyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 408.38 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(hydroxymethyl)-2-(3-methoxypropyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 121364947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).