N-[7-(2-hydroxypropan-2-yl)-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C22H24F3N5O2 — CID 146386213

IUPACN-[7-(2-hydroxypropan-2-yl)-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)c1cc2nc(C3CCNCC3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C22H24F3N5O2/c1-21(2,32)14-10-19-28-16(13-6-8-26-9-7-13)11-30(19)12-17(14)29-20(31)15-4-3-5-18(27-15)22(23,24)25/h3-5,10-13,26,32H,6-9H2,1-2H3,(H,29,31)
InChIKeyKJGRUGNLMYOXBT-UHFFFAOYSA-N
MW447.46 g/mol
LogP3.69
Rot. Bonds4

About N-[7-(2-hydroxypropan-2-yl)-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[7-(2-hydroxypropan-2-yl)-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 146386213) has the molecular formula C22H24F3N5O2 and a molecular weight of 447.46 g/mol. Its IUPAC name is N-[7-(2-hydroxypropan-2-yl)-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[7-(2-hydroxypropan-2-yl)-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID146386213
Molecular FormulaC22H24F3N5O2
Molecular Weight447.46 g/mol
Exact Mass447.19
IUPAC NameN-[7-(2-hydroxypropan-2-yl)-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)(O)c1cc2nc(C3CCNCC3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C22H24F3N5O2/c1-21(2,32)14-10-19-28-16(13-6-8-26-9-7-13)11-30(19)12-17(14)29-20(31)15-4-3-5-18(27-15)22(23,24)25/h3-5,10-13,26,32H,6-9H2,1-2H3,(H,29,31)
InChIKeyKJGRUGNLMYOXBT-UHFFFAOYSA-N
XLogP3.69
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[7-(2-hydroxypropan-2-yl)-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[7-(2-hydroxypropan-2-yl)-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 146386213) is N-[7-(2-hydroxypropan-2-yl)-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[7-(2-hydroxypropan-2-yl)-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[7-(2-hydroxypropan-2-yl)-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(C)(O)c1cc2nc(C3CCNCC3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[7-(2-hydroxypropan-2-yl)-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is KJGRUGNLMYOXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O2/c1-21(2,32)14-10-19-28-16(13-6-8-26-9-7-13)11-30(19)12-17(14)29-20(31)15-4-3-5-18(27-15)22(23,24)25/h3-5,10-13,26,32H,6-9H2,1-2H3,(H,29,31).
What are the key properties of N-[7-(2-hydroxypropan-2-yl)-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[7-(2-hydroxypropan-2-yl)-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 447.46 g/mol, XLogP of 3.69, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2-hydroxypropan-2-yl)-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 146386213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).