6-(difluoromethyl)-3-[4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine

C18H16F2N8 — CID 139357714

IUPAC6-(difluoromethyl)-3-[4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESFC(F)c1cn2c(-c3nccc(N4CCC(c5ccn[nH]5)C4)n3)cnc2cn1
InChIInChI=1S/C18H16F2N8/c19-17(20)13-10-28-14(7-23-16(28)8-22-13)18-21-4-2-15(25-18)27-6-3-11(9-27)12-1-5-24-26-12/h1-2,4-5,7-8,10-11,17H,3,6,9H2,(H,24,26)
InChIKeyPIXQQEYJFBPRHT-UHFFFAOYSA-N
MW382.38 g/mol
LogP2.84
Rot. Bonds4

About 6-(difluoromethyl)-3-[4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine

6-(difluoromethyl)-3-[4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (PubChem CID 139357714) has the molecular formula C18H16F2N8 and a molecular weight of 382.38 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
PubChem CID139357714
Molecular FormulaC18H16F2N8
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC Name6-(difluoromethyl)-3-[4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESFC(F)c1cn2c(-c3nccc(N4CCC(c5ccn[nH]5)C4)n3)cnc2cn1
InChIInChI=1S/C18H16F2N8/c19-17(20)13-10-28-14(7-23-16(28)8-22-13)18-21-4-2-15(25-18)27-6-3-11(9-27)12-1-5-24-26-12/h1-2,4-5,7-8,10-11,17H,3,6,9H2,(H,24,26)
InChIKeyPIXQQEYJFBPRHT-UHFFFAOYSA-N
XLogP2.84
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The IUPAC name of 6-(difluoromethyl)-3-[4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (CID 139357714) is 6-(difluoromethyl)-3-[4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(difluoromethyl)-3-[4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(difluoromethyl)-3-[4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is FC(F)c1cn2c(-c3nccc(N4CCC(c5ccn[nH]5)C4)n3)cnc2cn1.
What is the InChIKey of 6-(difluoromethyl)-3-[4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The InChIKey is PIXQQEYJFBPRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N8/c19-17(20)13-10-28-14(7-23-16(28)8-22-13)18-21-4-2-15(25-18)27-6-3-11(9-27)12-1-5-24-26-12/h1-2,4-5,7-8,10-11,17H,3,6,9H2,(H,24,26).
What are the key properties of 6-(difluoromethyl)-3-[4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
6-(difluoromethyl)-3-[4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine has a molecular weight of 382.38 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[4-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139357714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).