N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

C21H22F3N5O2S — CID 118160934

IUPACN-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)C2CCN(CC(F)(F)F)CC2)cn1)c1ccc2nccn2c1
InChIInChI=1S/C21H22F3N5O2S/c22-21(23,24)14-28-8-5-17(6-9-28)32(31)18-3-2-16(26-12-18)11-27-20(30)15-1-4-19-25-7-10-29(19)13-15/h1-4,7,10,12-13,17H,5-6,8-9,11,14H2,(H,27,30)
InChIKeyTZJFXIFKFUJSFC-UHFFFAOYSA-N
MW465.50 g/mol
LogP2.79
Rot. Bonds6

About N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118160934) has the molecular formula C21H22F3N5O2S and a molecular weight of 465.50 g/mol. Its IUPAC name is N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID118160934
Molecular FormulaC21H22F3N5O2S
Molecular Weight465.50 g/mol
Exact Mass465.14
IUPAC NameN-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)C2CCN(CC(F)(F)F)CC2)cn1)c1ccc2nccn2c1
InChIInChI=1S/C21H22F3N5O2S/c22-21(23,24)14-28-8-5-17(6-9-28)32(31)18-3-2-16(26-12-18)11-27-20(30)15-1-4-19-25-7-10-29(19)13-15/h1-4,7,10,12-13,17H,5-6,8-9,11,14H2,(H,27,30)
InChIKeyTZJFXIFKFUJSFC-UHFFFAOYSA-N
XLogP2.79
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.50
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 118160934) is N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is O=C(NCc1ccc(S(=O)C2CCN(CC(F)(F)F)CC2)cn1)c1ccc2nccn2c1.
What is the InChIKey of N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is TZJFXIFKFUJSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O2S/c22-21(23,24)14-28-8-5-17(6-9-28)32(31)18-3-2-16(26-12-18)11-27-20(30)15-1-4-19-25-7-10-29(19)13-15/h1-4,7,10,12-13,17H,5-6,8-9,11,14H2,(H,27,30).
What are the key properties of N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 465.50 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinyl-2-pyridinyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118160934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).