5-piperidin-1-yl-3-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyrazine-2-carboxamide

C20H27F3N8O — CID 145201100

IUPAC5-piperidin-1-yl-3-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyrazine-2-carboxamide
SMILESNC(=O)c1ncc(N2CCCCC2)nc1Nc1cnn(C2CCN(CC(F)(F)F)CC2)c1
InChIInChI=1S/C20H27F3N8O/c21-20(22,23)13-29-8-4-15(5-9-29)31-12-14(10-26-31)27-19-17(18(24)32)25-11-16(28-19)30-6-2-1-3-7-30/h10-12,15H,1-9,13H2,(H2,24,32)(H,27,28)
InChIKeyWVUWGOMLCGANRS-UHFFFAOYSA-N
MW452.49 g/mol
LogP2.71
Rot. Bonds6

About 5-piperidin-1-yl-3-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyrazine-2-carboxamide

5-piperidin-1-yl-3-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyrazine-2-carboxamide (PubChem CID 145201100) has the molecular formula C20H27F3N8O and a molecular weight of 452.49 g/mol. Its IUPAC name is 5-piperidin-1-yl-3-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-piperidin-1-yl-3-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyrazine-2-carboxamide
PubChem CID145201100
Molecular FormulaC20H27F3N8O
Molecular Weight452.49 g/mol
Exact Mass452.23
IUPAC Name5-piperidin-1-yl-3-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyrazine-2-carboxamide
SMILESNC(=O)c1ncc(N2CCCCC2)nc1Nc1cnn(C2CCN(CC(F)(F)F)CC2)c1
InChIInChI=1S/C20H27F3N8O/c21-20(22,23)13-29-8-4-15(5-9-29)31-12-14(10-26-31)27-19-17(18(24)32)25-11-16(28-19)30-6-2-1-3-7-30/h10-12,15H,1-9,13H2,(H2,24,32)(H,27,28)
InChIKeyWVUWGOMLCGANRS-UHFFFAOYSA-N
XLogP2.71
TPSA105.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-yl-3-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyrazine-2-carboxamide?
The IUPAC name of 5-piperidin-1-yl-3-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyrazine-2-carboxamide (CID 145201100) is 5-piperidin-1-yl-3-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyrazine-2-carboxamide.
What is the SMILES notation for 5-piperidin-1-yl-3-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyrazine-2-carboxamide?
The canonical SMILES for 5-piperidin-1-yl-3-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyrazine-2-carboxamide is NC(=O)c1ncc(N2CCCCC2)nc1Nc1cnn(C2CCN(CC(F)(F)F)CC2)c1.
What is the InChIKey of 5-piperidin-1-yl-3-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyrazine-2-carboxamide?
The InChIKey is WVUWGOMLCGANRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N8O/c21-20(22,23)13-29-8-4-15(5-9-29)31-12-14(10-26-31)27-19-17(18(24)32)25-11-16(28-19)30-6-2-1-3-7-30/h10-12,15H,1-9,13H2,(H2,24,32)(H,27,28).
What are the key properties of 5-piperidin-1-yl-3-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyrazine-2-carboxamide?
5-piperidin-1-yl-3-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyrazine-2-carboxamide has a molecular weight of 452.49 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-yl-3-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]amino]pyrazine-2-carboxamide is sourced from PubChem (CID 145201100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).