methyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate

C19H20F2N6O2 — CID 139343358

IUPACmethyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate
SMILESCOC(=O)C1CC(C)CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1
InChIInChI=1S/C19H20F2N6O2/c1-11-5-12(19(28)29-2)9-26(8-11)15-3-4-22-18(25-15)14-6-24-16-7-23-13(17(20)21)10-27(14)16/h3-4,6-7,10-12,17H,5,8-9H2,1-2H3
InChIKeyHLIXKQQANOSTKK-UHFFFAOYSA-N
MW402.41 g/mol
LogP2.76
Rot. Bonds4

About methyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate

methyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate (PubChem CID 139343358) has the molecular formula C19H20F2N6O2 and a molecular weight of 402.41 g/mol. Its IUPAC name is methyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate
PubChem CID139343358
Molecular FormulaC19H20F2N6O2
Molecular Weight402.41 g/mol
Exact Mass402.16
IUPAC Namemethyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate
SMILESCOC(=O)C1CC(C)CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1
InChIInChI=1S/C19H20F2N6O2/c1-11-5-12(19(28)29-2)9-26(8-11)15-3-4-22-18(25-15)14-6-24-16-7-23-13(17(20)21)10-27(14)16/h3-4,6-7,10-12,17H,5,8-9H2,1-2H3
InChIKeyHLIXKQQANOSTKK-UHFFFAOYSA-N
XLogP2.76
TPSA85.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate?
The IUPAC name of methyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate (CID 139343358) is methyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate?
The canonical SMILES for methyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate is COC(=O)C1CC(C)CN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.
What is the InChIKey of methyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate?
The InChIKey is HLIXKQQANOSTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6O2/c1-11-5-12(19(28)29-2)9-26(8-11)15-3-4-22-18(25-15)14-6-24-16-7-23-13(17(20)21)10-27(14)16/h3-4,6-7,10-12,17H,5,8-9H2,1-2H3.
What are the key properties of methyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate?
methyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate has a molecular weight of 402.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate is sourced from PubChem (CID 139343358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).