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

C19H19F2N9 — CID 139358514

IUPAC6-(difluoromethyl)-3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESCC1C(c2cn[nH]c2)NCCN1c1ccnc(-c2cnc3cnc(C(F)F)cn23)n1
InChIInChI=1S/C19H19F2N9/c1-11-17(12-6-26-27-7-12)22-4-5-29(11)15-2-3-23-19(28-15)14-8-25-16-9-24-13(18(20)21)10-30(14)16/h2-3,6-11,17-18,22H,4-5H2,1H3,(H,26,27)
InChIKeyBHPGOWAOJNOUPT-UHFFFAOYSA-N
MW411.42 g/mol
LogP2.39
Rot. Bonds4

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

6-(difluoromethyl)-3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (PubChem CID 139358514) has the molecular formula C19H19F2N9 and a molecular weight of 411.42 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
PubChem CID139358514
Molecular FormulaC19H19F2N9
Molecular Weight411.42 g/mol
Exact Mass411.17
IUPAC Name6-(difluoromethyl)-3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESCC1C(c2cn[nH]c2)NCCN1c1ccnc(-c2cnc3cnc(C(F)F)cn23)n1
InChIInChI=1S/C19H19F2N9/c1-11-17(12-6-26-27-7-12)22-4-5-29(11)15-2-3-23-19(28-15)14-8-25-16-9-24-13(18(20)21)10-30(14)16/h2-3,6-11,17-18,22H,4-5H2,1H3,(H,26,27)
InChIKeyBHPGOWAOJNOUPT-UHFFFAOYSA-N
XLogP2.39
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The IUPAC name of 6-(difluoromethyl)-3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (CID 139358514) is 6-(difluoromethyl)-3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(difluoromethyl)-3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(difluoromethyl)-3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is CC1C(c2cn[nH]c2)NCCN1c1ccnc(-c2cnc3cnc(C(F)F)cn23)n1.
What is the InChIKey of 6-(difluoromethyl)-3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The InChIKey is BHPGOWAOJNOUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N9/c1-11-17(12-6-26-27-7-12)22-4-5-29(11)15-2-3-23-19(28-15)14-8-25-16-9-24-13(18(20)21)10-30(14)16/h2-3,6-11,17-18,22H,4-5H2,1H3,(H,26,27).
What are the key properties of 6-(difluoromethyl)-3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
6-(difluoromethyl)-3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine has a molecular weight of 411.42 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[4-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139358514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).