6-(difluoromethyl)-3-[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine

C21H20F2N8 — CID 139358864

IUPAC6-(difluoromethyl)-3-[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESCN1CCN(c2cccc(-c3ccnc(-c4cnc5cnc(C(F)F)cn45)n3)n2)CC1
InChIInChI=1S/C21H20F2N8/c1-29-7-9-30(10-8-29)18-4-2-3-14(27-18)15-5-6-24-21(28-15)17-11-26-19-12-25-16(20(22)23)13-31(17)19/h2-6,11-13,20H,7-10H2,1H3
InChIKeyVRWCUYLONDQMDG-UHFFFAOYSA-N
MW422.44 g/mol
LogP2.94
Rot. Bonds4

About 6-(difluoromethyl)-3-[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine

6-(difluoromethyl)-3-[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (PubChem CID 139358864) has the molecular formula C21H20F2N8 and a molecular weight of 422.44 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
PubChem CID139358864
Molecular FormulaC21H20F2N8
Molecular Weight422.44 g/mol
Exact Mass422.18
IUPAC Name6-(difluoromethyl)-3-[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESCN1CCN(c2cccc(-c3ccnc(-c4cnc5cnc(C(F)F)cn45)n3)n2)CC1
InChIInChI=1S/C21H20F2N8/c1-29-7-9-30(10-8-29)18-4-2-3-14(27-18)15-5-6-24-21(28-15)17-11-26-19-12-25-16(20(22)23)13-31(17)19/h2-6,11-13,20H,7-10H2,1H3
InChIKeyVRWCUYLONDQMDG-UHFFFAOYSA-N
XLogP2.94
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The IUPAC name of 6-(difluoromethyl)-3-[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (CID 139358864) is 6-(difluoromethyl)-3-[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(difluoromethyl)-3-[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(difluoromethyl)-3-[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is CN1CCN(c2cccc(-c3ccnc(-c4cnc5cnc(C(F)F)cn45)n3)n2)CC1.
What is the InChIKey of 6-(difluoromethyl)-3-[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The InChIKey is VRWCUYLONDQMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N8/c1-29-7-9-30(10-8-29)18-4-2-3-14(27-18)15-5-6-24-21(28-15)17-11-26-19-12-25-16(20(22)23)13-31(17)19/h2-6,11-13,20H,7-10H2,1H3.
What are the key properties of 6-(difluoromethyl)-3-[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
6-(difluoromethyl)-3-[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine has a molecular weight of 422.44 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[4-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139358864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).