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

C19H20F3N5O2 — CID 162642863

IUPACN-[7-amino-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(N)c2n1
InChIInChI=1S/C19H20F3N5O2/c1-18(2,29)6-7-27-10-11-8-12(9-13(23)16(11)26-27)24-17(28)14-4-3-5-15(25-14)19(20,21)22/h3-5,8-10,29H,6-7,23H2,1-2H3,(H,24,28)
InChIKeyPLVALMJHLAPWJB-UHFFFAOYSA-N
MW407.40 g/mol
LogP3.45
Rot. Bonds5

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

N-[7-amino-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 162642863) has the molecular formula C19H20F3N5O2 and a molecular weight of 407.40 g/mol. Its IUPAC name is N-[7-amino-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[7-amino-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID162642863
Molecular FormulaC19H20F3N5O2
Molecular Weight407.40 g/mol
Exact Mass407.16
IUPAC NameN-[7-amino-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(N)c2n1
InChIInChI=1S/C19H20F3N5O2/c1-18(2,29)6-7-27-10-11-8-12(9-13(23)16(11)26-27)24-17(28)14-4-3-5-15(25-14)19(20,21)22/h3-5,8-10,29H,6-7,23H2,1-2H3,(H,24,28)
InChIKeyPLVALMJHLAPWJB-UHFFFAOYSA-N
XLogP3.45
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[7-amino-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[7-amino-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 162642863) is N-[7-amino-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[7-amino-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[7-amino-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(N)c2n1.
What is the InChIKey of N-[7-amino-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is PLVALMJHLAPWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O2/c1-18(2,29)6-7-27-10-11-8-12(9-13(23)16(11)26-27)24-17(28)14-4-3-5-15(25-14)19(20,21)22/h3-5,8-10,29H,6-7,23H2,1-2H3,(H,24,28).
What are the key properties of N-[7-amino-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[7-amino-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 407.40 g/mol, XLogP of 3.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-amino-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 162642863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).