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

C20H20F2N8 — CID 139357995

IUPAC6-(difluoromethyl)-3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESCc1[nH]ncc1C1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1
InChIInChI=1S/C20H20F2N8/c1-12-14(7-26-28-12)13-3-2-6-29(10-13)17-4-5-23-20(27-17)16-8-25-18-9-24-15(19(21)22)11-30(16)18/h4-5,7-9,11,13,19H,2-3,6,10H2,1H3,(H,26,28)
InChIKeyMYUCPNCVXMZMOH-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.54
Rot. Bonds4

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

6-(difluoromethyl)-3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (PubChem CID 139357995) has the molecular formula C20H20F2N8 and a molecular weight of 410.43 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
PubChem CID139357995
Molecular FormulaC20H20F2N8
Molecular Weight410.43 g/mol
Exact Mass410.18
IUPAC Name6-(difluoromethyl)-3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESCc1[nH]ncc1C1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1
InChIInChI=1S/C20H20F2N8/c1-12-14(7-26-28-12)13-3-2-6-29(10-13)17-4-5-23-20(27-17)16-8-25-18-9-24-15(19(21)22)11-30(16)18/h4-5,7-9,11,13,19H,2-3,6,10H2,1H3,(H,26,28)
InChIKeyMYUCPNCVXMZMOH-UHFFFAOYSA-N
XLogP3.54
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ly-2584702
CID 25118925
5-(1-ethylpyrazol-4-yl)-3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 71253958
5-imidazol-1-yl-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71254348
Ipivivint
CID 136213660
N-piperidin-4-yl-6-[6-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
CID 44448970
6-[6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-piperidin-4-ylpyridin-2-amine
CID 44448973
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-fluorophenyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62705990
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(3-fluorophenyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62705991
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyridin-2-amine
CID 62706154
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-5-yl)-6-pyridin-3-ylimidazo[1,2-a]pyridin-2-amine
CID 62706155
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methyl-3-pyridinyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706156
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methylphenyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706157

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The IUPAC name of 6-(difluoromethyl)-3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (CID 139357995) is 6-(difluoromethyl)-3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(difluoromethyl)-3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(difluoromethyl)-3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is Cc1[nH]ncc1C1CCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.
What is the InChIKey of 6-(difluoromethyl)-3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The InChIKey is MYUCPNCVXMZMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N8/c1-12-14(7-26-28-12)13-3-2-6-29(10-13)17-4-5-23-20(27-17)16-8-25-18-9-24-15(19(21)22)11-30(16)18/h4-5,7-9,11,13,19H,2-3,6,10H2,1H3,(H,26,28).
What are the key properties of 6-(difluoromethyl)-3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
6-(difluoromethyl)-3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine has a molecular weight of 410.43 g/mol, XLogP of 3.54, 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-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139357995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).