3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine

C19H17F3N8 — CID 139343209

IUPAC3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESFC(F)(F)c1cn2c(-c3nccc(N4CCCC(c5cn[nH]c5)C4)n3)cnc2cn1
InChIInChI=1S/C19H17F3N8/c20-19(21,22)15-11-30-14(8-25-17(30)9-24-15)18-23-4-3-16(28-18)29-5-1-2-12(10-29)13-6-26-27-7-13/h3-4,6-9,11-12H,1-2,5,10H2,(H,26,27)
InChIKeyPINORTDIANFDFS-UHFFFAOYSA-N
MW414.40 g/mol
LogP3.31
Rot. Bonds3

About 3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine

3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 139343209) has the molecular formula C19H17F3N8 and a molecular weight of 414.40 g/mol. Its IUPAC name is 3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID139343209
Molecular FormulaC19H17F3N8
Molecular Weight414.40 g/mol
Exact Mass414.15
IUPAC Name3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESFC(F)(F)c1cn2c(-c3nccc(N4CCCC(c5cn[nH]c5)C4)n3)cnc2cn1
InChIInChI=1S/C19H17F3N8/c20-19(21,22)15-11-30-14(8-25-17(30)9-24-15)18-23-4-3-16(28-18)29-5-1-2-12(10-29)13-6-26-27-7-13/h3-4,6-9,11-12H,1-2,5,10H2,(H,26,27)
InChIKeyPINORTDIANFDFS-UHFFFAOYSA-N
XLogP3.31
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-piperidin-4-yl-6-[6-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
CID 44448970
3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344357
3-[4-[4-[(2,2-dimethylcyclopropyl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344438
3-[4-[4-(4,4-difluorocyclohexyl)-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344464
6-(3,3-difluoroazetidin-1-yl)-3-[6-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine
CID 139344473
3-[4-[4-[(1-methylpyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344509
3-[4-[(3S)-4-[[(1S)-2,2-dimethylcyclopropyl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344525
6-(3,3-difluoroazetidin-1-yl)-3-[2-[(3R,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine
CID 139344526
3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344533
3-[4-[(3R)-4-[[(1S)-2,2-dimethylcyclopropyl]methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344540
3-[4-[3-(1H-pyrazol-4-yl)-4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344556
3-[4-[3-(1H-pyrazol-4-yl)-4-(spiro[2.2]pentan-2-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139344559

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 139343209) is 3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is FC(F)(F)c1cn2c(-c3nccc(N4CCCC(c5cn[nH]c5)C4)n3)cnc2cn1.
What is the InChIKey of 3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is PINORTDIANFDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N8/c20-19(21,22)15-11-30-14(8-25-17(30)9-24-15)18-23-4-3-16(28-18)29-5-1-2-12(10-29)13-6-26-27-7-13/h3-4,6-9,11-12H,1-2,5,10H2,(H,26,27).
What are the key properties of 3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 414.40 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139343209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).