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

C20H21F2N9 — CID 139359680

IUPAC6-(difluoromethyl)-3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESCc1[nH]ncc1C1CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC(C)N1
InChIInChI=1S/C20H21F2N9/c1-11-8-30(9-14(27-11)13-5-26-29-12(13)2)17-3-4-23-20(28-17)16-6-25-18-7-24-15(19(21)22)10-31(16)18/h3-7,10-11,14,19,27H,8-9H2,1-2H3,(H,26,29)
InChIKeyBGWHCNUCHZNBJU-UHFFFAOYSA-N
MW425.45 g/mol
LogP2.69
Rot. Bonds4

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

6-(difluoromethyl)-3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (PubChem CID 139359680) has the molecular formula C20H21F2N9 and a molecular weight of 425.45 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
PubChem CID139359680
Molecular FormulaC20H21F2N9
Molecular Weight425.45 g/mol
Exact Mass425.19
IUPAC Name6-(difluoromethyl)-3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESCc1[nH]ncc1C1CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC(C)N1
InChIInChI=1S/C20H21F2N9/c1-11-8-30(9-14(27-11)13-5-26-29-12(13)2)17-3-4-23-20(28-17)16-6-25-18-7-24-15(19(21)22)10-31(16)18/h3-7,10-11,14,19,27H,8-9H2,1-2H3,(H,26,29)
InChIKeyBGWHCNUCHZNBJU-UHFFFAOYSA-N
XLogP2.69
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 52.69
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-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The IUPAC name of 6-(difluoromethyl)-3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (CID 139359680) is 6-(difluoromethyl)-3-[4-[3-methyl-5-(5-methyl-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-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(difluoromethyl)-3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is Cc1[nH]ncc1C1CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC(C)N1.
What is the InChIKey of 6-(difluoromethyl)-3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The InChIKey is BGWHCNUCHZNBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N9/c1-11-8-30(9-14(27-11)13-5-26-29-12(13)2)17-3-4-23-20(28-17)16-6-25-18-7-24-15(19(21)22)10-31(16)18/h3-7,10-11,14,19,27H,8-9H2,1-2H3,(H,26,29).
What are the key properties of 6-(difluoromethyl)-3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
6-(difluoromethyl)-3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine has a molecular weight of 425.45 g/mol, XLogP of 2.69, 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-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139359680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).