6-(difluoromethyl)-3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine

C20H22F2N6O — CID 139357999

IUPAC6-(difluoromethyl)-3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESFC(F)c1cn2c(-c3nccc(N4CCC(C5CCOCC5)C4)n3)cnc2cn1
InChIInChI=1S/C20H22F2N6O/c21-19(22)15-12-28-16(9-25-18(28)10-24-15)20-23-5-1-17(26-20)27-6-2-14(11-27)13-3-7-29-8-4-13/h1,5,9-10,12-14,19H,2-4,6-8,11H2
InChIKeyZBZAWOAAZLQJSM-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.38
Rot. Bonds4

About 6-(difluoromethyl)-3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine

6-(difluoromethyl)-3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (PubChem CID 139357999) has the molecular formula C20H22F2N6O and a molecular weight of 400.43 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
PubChem CID139357999
Molecular FormulaC20H22F2N6O
Molecular Weight400.43 g/mol
Exact Mass400.18
IUPAC Name6-(difluoromethyl)-3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESFC(F)c1cn2c(-c3nccc(N4CCC(C5CCOCC5)C4)n3)cnc2cn1
InChIInChI=1S/C20H22F2N6O/c21-19(22)15-12-28-16(9-25-18(28)10-24-15)20-23-5-1-17(26-20)27-6-2-14(11-27)13-3-7-29-8-4-13/h1,5,9-10,12-14,19H,2-4,6-8,11H2
InChIKeyZBZAWOAAZLQJSM-UHFFFAOYSA-N
XLogP3.38
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The IUPAC name of 6-(difluoromethyl)-3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (CID 139357999) is 6-(difluoromethyl)-3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(difluoromethyl)-3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(difluoromethyl)-3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is FC(F)c1cn2c(-c3nccc(N4CCC(C5CCOCC5)C4)n3)cnc2cn1.
What is the InChIKey of 6-(difluoromethyl)-3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The InChIKey is ZBZAWOAAZLQJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N6O/c21-19(22)15-12-28-16(9-25-18(28)10-24-15)20-23-5-1-17(26-20)27-6-2-14(11-27)13-3-7-29-8-4-13/h1,5,9-10,12-14,19H,2-4,6-8,11H2.
What are the key properties of 6-(difluoromethyl)-3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
6-(difluoromethyl)-3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine has a molecular weight of 400.43 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139357999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).