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

C20H21F3N6O3S — CID 118160945

IUPACN-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)C2CCN(CC(F)(F)F)CC2)cn1)c1cnc2nccn2c1
InChIInChI=1S/C20H21F3N6O3S/c21-20(22,23)13-28-6-3-16(4-7-28)33(31,32)17-2-1-15(25-11-17)10-26-18(30)14-9-27-19-24-5-8-29(19)12-14/h1-2,5,8-9,11-12,16H,3-4,6-7,10,13H2,(H,26,30)
InChIKeyAYRWUAWKBUXAIE-UHFFFAOYSA-N
MW482.49 g/mol
LogP1.85
Rot. Bonds6

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

N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 118160945) has the molecular formula C20H21F3N6O3S and a molecular weight of 482.49 g/mol. Its IUPAC name is N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
PubChem CID118160945
Molecular FormulaC20H21F3N6O3S
Molecular Weight482.49 g/mol
Exact Mass482.13
IUPAC NameN-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)C2CCN(CC(F)(F)F)CC2)cn1)c1cnc2nccn2c1
InChIInChI=1S/C20H21F3N6O3S/c21-20(22,23)13-28-6-3-16(4-7-28)33(31,32)17-2-1-15(25-11-17)10-26-18(30)14-9-27-19-24-5-8-29(19)12-14/h1-2,5,8-9,11-12,16H,3-4,6-7,10,13H2,(H,26,30)
InChIKeyAYRWUAWKBUXAIE-UHFFFAOYSA-N
XLogP1.85
TPSA109.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.49
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide (CID 118160945) is N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is O=C(NCc1ccc(S(=O)(=O)C2CCN(CC(F)(F)F)CC2)cn1)c1cnc2nccn2c1.
What is the InChIKey of N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is AYRWUAWKBUXAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O3S/c21-20(22,23)13-28-6-3-16(4-7-28)33(31,32)17-2-1-15(25-11-17)10-26-18(30)14-9-27-19-24-5-8-29(19)12-14/h1-2,5,8-9,11-12,16H,3-4,6-7,10,13H2,(H,26,30).
What are the key properties of N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide?
N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 482.49 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfonyl-2-pyridinyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 118160945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).