5-(1H-pyrazol-4-yl)-N-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine

C22H22F3N7 — CID 59023148

IUPAC5-(1H-pyrazol-4-yl)-N-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESFC(F)(F)CN1CCC(c2ccc(Nc3ncc(-c4cn[nH]c4)n4ccnc34)cc2)CC1
InChIInChI=1S/C22H22F3N7/c23-22(24,25)14-31-8-5-16(6-9-31)15-1-3-18(4-2-15)30-20-21-26-7-10-32(21)19(13-27-20)17-11-28-29-12-17/h1-4,7,10-13,16H,5-6,8-9,14H2,(H,27,30)(H,28,29)
InChIKeyYTRAVFGVUHMASJ-UHFFFAOYSA-N
MW441.46 g/mol
LogP4.60
Rot. Bonds5

About 5-(1H-pyrazol-4-yl)-N-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine

5-(1H-pyrazol-4-yl)-N-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 59023148) has the molecular formula C22H22F3N7 and a molecular weight of 441.46 g/mol. Its IUPAC name is 5-(1H-pyrazol-4-yl)-N-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name5-(1H-pyrazol-4-yl)-N-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID59023148
Molecular FormulaC22H22F3N7
Molecular Weight441.46 g/mol
Exact Mass441.19
IUPAC Name5-(1H-pyrazol-4-yl)-N-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESFC(F)(F)CN1CCC(c2ccc(Nc3ncc(-c4cn[nH]c4)n4ccnc34)cc2)CC1
InChIInChI=1S/C22H22F3N7/c23-22(24,25)14-31-8-5-16(6-9-31)15-1-3-18(4-2-15)30-20-21-26-7-10-32(21)19(13-27-20)17-11-28-29-12-17/h1-4,7,10-13,16H,5-6,8-9,14H2,(H,27,30)(H,28,29)
InChIKeyYTRAVFGVUHMASJ-UHFFFAOYSA-N
XLogP4.60
TPSA74.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazol-4-yl)-N-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 5-(1H-pyrazol-4-yl)-N-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine (CID 59023148) is 5-(1H-pyrazol-4-yl)-N-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 5-(1H-pyrazol-4-yl)-N-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 5-(1H-pyrazol-4-yl)-N-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine is FC(F)(F)CN1CCC(c2ccc(Nc3ncc(-c4cn[nH]c4)n4ccnc34)cc2)CC1.
What is the InChIKey of 5-(1H-pyrazol-4-yl)-N-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is YTRAVFGVUHMASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N7/c23-22(24,25)14-31-8-5-16(6-9-31)15-1-3-18(4-2-15)30-20-21-26-7-10-32(21)19(13-27-20)17-11-28-29-12-17/h1-4,7,10-13,16H,5-6,8-9,14H2,(H,27,30)(H,28,29).
What are the key properties of 5-(1H-pyrazol-4-yl)-N-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?
5-(1H-pyrazol-4-yl)-N-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 441.46 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrazol-4-yl)-N-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 59023148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).