6-(difluoromethyl)-N-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide

C22H24F2N6O2 — CID 154655624

IUPAC6-(difluoromethyl)-N-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cn2cc(C3CCOCC3)nc2c(N2CCCC2)n1)c1cccc(C(F)F)n1
InChIInChI=1S/C22H24F2N6O2/c23-19(24)15-4-3-5-16(25-15)22(31)28-18-13-30-12-17(14-6-10-32-11-7-14)26-20(30)21(27-18)29-8-1-2-9-29/h3-5,12-14,19H,1-2,6-11H2,(H,28,31)
InChIKeyAVVZWSVTSHPUEV-UHFFFAOYSA-N
MW442.47 g/mol
LogP3.81
Rot. Bonds5

About 6-(difluoromethyl)-N-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide

6-(difluoromethyl)-N-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide (PubChem CID 154655624) has the molecular formula C22H24F2N6O2 and a molecular weight of 442.47 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-N-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide
PubChem CID154655624
Molecular FormulaC22H24F2N6O2
Molecular Weight442.47 g/mol
Exact Mass442.19
IUPAC Name6-(difluoromethyl)-N-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cn2cc(C3CCOCC3)nc2c(N2CCCC2)n1)c1cccc(C(F)F)n1
InChIInChI=1S/C22H24F2N6O2/c23-19(24)15-4-3-5-16(25-15)22(31)28-18-13-30-12-17(14-6-10-32-11-7-14)26-20(30)21(27-18)29-8-1-2-9-29/h3-5,12-14,19H,1-2,6-11H2,(H,28,31)
InChIKeyAVVZWSVTSHPUEV-UHFFFAOYSA-N
XLogP3.81
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(difluoromethyl)-N-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide (CID 154655624) is 6-(difluoromethyl)-N-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-N-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-N-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide is O=C(Nc1cn2cc(C3CCOCC3)nc2c(N2CCCC2)n1)c1cccc(C(F)F)n1.
What is the InChIKey of 6-(difluoromethyl)-N-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide?
The InChIKey is AVVZWSVTSHPUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N6O2/c23-19(24)15-4-3-5-16(25-15)22(31)28-18-13-30-12-17(14-6-10-32-11-7-14)26-20(30)21(27-18)29-8-1-2-9-29/h3-5,12-14,19H,1-2,6-11H2,(H,28,31).
What are the key properties of 6-(difluoromethyl)-N-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide?
6-(difluoromethyl)-N-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide has a molecular weight of 442.47 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 154655624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).