N-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C20H17ClF3N5O2 — CID 118172757

IUPACN-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc2cn(CC(=O)N3CCCC3)nc2cc1Cl)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H17ClF3N5O2/c21-13-9-15-12(10-29(27-15)11-18(30)28-6-1-2-7-28)8-16(13)26-19(31)14-4-3-5-17(25-14)20(22,23)24/h3-5,8-10H,1-2,6-7,11H2,(H,26,31)
InChIKeyYVFFWQFUPGRIKF-UHFFFAOYSA-N
MW451.84 g/mol
LogP3.98
Rot. Bonds4

About N-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118172757) has the molecular formula C20H17ClF3N5O2 and a molecular weight of 451.84 g/mol. Its IUPAC name is N-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118172757
Molecular FormulaC20H17ClF3N5O2
Molecular Weight451.84 g/mol
Exact Mass451.10
IUPAC NameN-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc2cn(CC(=O)N3CCCC3)nc2cc1Cl)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H17ClF3N5O2/c21-13-9-15-12(10-29(27-15)11-18(30)28-6-1-2-7-28)8-16(13)26-19(31)14-4-3-5-17(25-14)20(22,23)24/h3-5,8-10H,1-2,6-7,11H2,(H,26,31)
InChIKeyYVFFWQFUPGRIKF-UHFFFAOYSA-N
XLogP3.98
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.84
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118172757) is N-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1cc2cn(CC(=O)N3CCCC3)nc2cc1Cl)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is YVFFWQFUPGRIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N5O2/c21-13-9-15-12(10-29(27-15)11-18(30)28-6-1-2-7-28)8-16(13)26-19(31)14-4-3-5-17(25-14)20(22,23)24/h3-5,8-10H,1-2,6-7,11H2,(H,26,31).
What are the key properties of N-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 451.84 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-(2-oxo-2-pyrrolidin-1-ylethyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118172757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).