[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-3-yl]methanol

C18H20F2N6O — CID 139358296

IUPAC[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-3-yl]methanol
SMILESOCC1CCCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1
InChIInChI=1S/C18H20F2N6O/c19-17(20)13-10-26-14(7-23-16(26)8-22-13)18-21-5-4-15(24-18)25-6-2-1-3-12(9-25)11-27/h4-5,7-8,10,12,17,27H,1-3,6,9,11H2
InChIKeyUBGYLVPGYFRTDG-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.72
Rot. Bonds4

About [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-3-yl]methanol

[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-3-yl]methanol (PubChem CID 139358296) has the molecular formula C18H20F2N6O and a molecular weight of 374.40 g/mol. Its IUPAC name is [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-3-yl]methanol
PubChem CID139358296
Molecular FormulaC18H20F2N6O
Molecular Weight374.40 g/mol
Exact Mass374.17
IUPAC Name[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-3-yl]methanol
SMILESOCC1CCCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1
InChIInChI=1S/C18H20F2N6O/c19-17(20)13-10-26-14(7-23-16(26)8-22-13)18-21-5-4-15(24-18)25-6-2-1-3-12(9-25)11-27/h4-5,7-8,10,12,17,27H,1-3,6,9,11H2
InChIKeyUBGYLVPGYFRTDG-UHFFFAOYSA-N
XLogP2.72
TPSA79.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)azepan-2-yl]ethanol
CID 164640679
3-[1-[2-[6-(Trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]propan-1-ol
CID 139343579
1-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-4-amine
CID 139343987
3-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-ol
CID 139357537
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
1-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-ol
CID 139357705
[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
1-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 139357728
6-(Difluoromethyl)-3-[4-[3-(oxetan-3-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 139357729
6-(Difluoromethyl)-3-[4-(3-methylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 139357762
6-(Difluoromethyl)-3-[4-[3-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 139357999

Frequently Asked Questions

What is the IUPAC name of [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-3-yl]methanol?
The IUPAC name of [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-3-yl]methanol (CID 139358296) is [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-3-yl]methanol.
What is the SMILES notation for [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-3-yl]methanol?
The canonical SMILES for [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-3-yl]methanol is OCC1CCCCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C1.
What is the InChIKey of [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-3-yl]methanol?
The InChIKey is UBGYLVPGYFRTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N6O/c19-17(20)13-10-26-14(7-23-16(26)8-22-13)18-21-5-4-15(24-18)25-6-2-1-3-12(9-25)11-27/h4-5,7-8,10,12,17,27H,1-3,6,9,11H2.
What are the key properties of [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-3-yl]methanol?
[1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-3-yl]methanol has a molecular weight of 374.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-3-yl]methanol is sourced from PubChem (CID 139358296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).