N-[2-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C22H22F3N5O3 — CID 118182550

IUPACN-[2-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2nn(CC(=O)N3CCCC[C@H]3CO)cc2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C22H22F3N5O3/c23-22(24,25)19-6-3-5-18(27-19)21(33)26-15-7-8-17-14(10-15)11-29(28-17)12-20(32)30-9-2-1-4-16(30)13-31/h3,5-8,10-11,16,31H,1-2,4,9,12-13H2,(H,26,33)/t16-/m0/s1
InChIKeyWXGURROBEFDKKU-INIZCTEOSA-N
MW461.44 g/mol
LogP3.08
Rot. Bonds5

About N-[2-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118182550) has the molecular formula C22H22F3N5O3 and a molecular weight of 461.44 g/mol. Its IUPAC name is N-[2-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118182550
Molecular FormulaC22H22F3N5O3
Molecular Weight461.44 g/mol
Exact Mass461.17
IUPAC NameN-[2-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc2nn(CC(=O)N3CCCC[C@H]3CO)cc2c1)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C22H22F3N5O3/c23-22(24,25)19-6-3-5-18(27-19)21(33)26-15-7-8-17-14(10-15)11-29(28-17)12-20(32)30-9-2-1-4-16(30)13-31/h3,5-8,10-11,16,31H,1-2,4,9,12-13H2,(H,26,33)/t16-/m0/s1
InChIKeyWXGURROBEFDKKU-INIZCTEOSA-N
XLogP3.08
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118182550) is N-[2-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1ccc2nn(CC(=O)N3CCCC[C@H]3CO)cc2c1)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is WXGURROBEFDKKU-INIZCTEOSA-N. The full InChI is InChI=1S/C22H22F3N5O3/c23-22(24,25)19-6-3-5-18(27-19)21(33)26-15-7-8-17-14(10-15)11-29(28-17)12-20(32)30-9-2-1-4-16(30)13-31/h3,5-8,10-11,16,31H,1-2,4,9,12-13H2,(H,26,33)/t16-/m0/s1.
What are the key properties of N-[2-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 461.44 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118182550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).