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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Related Compounds

3-[1-[2-[6-(Trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]propanal
CID 139343213
Methyl 1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-5-methylpiperidine-3-carboxylate
CID 139343358
3-[1-[2-[6-(Trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]propan-1-ol
CID 139343579
3-[4-(3,4-Dimethylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139357602
[(3R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanamine
CID 139357659
2-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 139357702
[3-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-1-yl]methanol
CID 139357710
[1-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 139357712
3-[4-(6-Azaspiro[3.4]octan-6-yl)pyrimidin-2-yl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine
CID 139357720
6-(Difluoromethyl)-3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 139357729
[1-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanamine
CID 139357730
6-(Difluoromethyl)-3-[4-(3-methylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 139357762

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).