[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-1-yl]methanol

C17H16F2N6O — CID 139357710

IUPAC[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-1-yl]methanol
SMILESOCC12CC1CN(c1ccnc(-c3cnc4cnc(C(F)F)cn34)n1)C2
InChIInChI=1S/C17H16F2N6O/c18-15(19)11-7-25-12(4-22-14(25)5-21-11)16-20-2-1-13(23-16)24-6-10-3-17(10,8-24)9-26/h1-2,4-5,7,10,15,26H,3,6,8-9H2
InChIKeyNOVVMEDYPIBZMG-UHFFFAOYSA-N
MW358.35 g/mol
LogP1.94
Rot. Bonds4

About [3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-1-yl]methanol

[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-1-yl]methanol (PubChem CID 139357710) has the molecular formula C17H16F2N6O and a molecular weight of 358.35 g/mol. Its IUPAC name is [3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-1-yl]methanol.

Molecular Properties

Compound Name[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-1-yl]methanol
PubChem CID139357710
Molecular FormulaC17H16F2N6O
Molecular Weight358.35 g/mol
Exact Mass358.14
IUPAC Name[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-1-yl]methanol
SMILESOCC12CC1CN(c1ccnc(-c3cnc4cnc(C(F)F)cn34)n1)C2
InChIInChI=1S/C17H16F2N6O/c18-15(19)11-7-25-12(4-22-14(25)5-21-11)16-20-2-1-13(23-16)24-6-10-3-17(10,8-24)9-26/h1-2,4-5,7,10,15,26H,3,6,8-9H2
InChIKeyNOVVMEDYPIBZMG-UHFFFAOYSA-N
XLogP1.94
TPSA79.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
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]propan-1-ol
CID 139343579
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
[1-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 139357712
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-(oxan-4-yl)pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 139357999
3-[4-[3-(Oxolan-3-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139358037
9-[2-[6-(Trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-oxa-9-azaspiro[4.5]decane
CID 139358062
3-[4-[3-(Methoxymethyl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139358063
1-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-(methoxymethyl)-5-methylpiperidine-3-carbaldehyde
CID 139358186
[1-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-3-yl]methanol
CID 139358296

Frequently Asked Questions

What is the IUPAC name of [3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-1-yl]methanol?
The IUPAC name of [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) is [3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-1-yl]methanol.
What is the SMILES notation for [3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-1-yl]methanol?
The canonical SMILES for [3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-1-yl]methanol is OCC12CC1CN(c1ccnc(-c3cnc4cnc(C(F)F)cn34)n1)C2.
What is the InChIKey of [3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-1-yl]methanol?
The InChIKey is NOVVMEDYPIBZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N6O/c18-15(19)11-7-25-12(4-22-14(25)5-21-11)16-20-2-1-13(23-16)24-6-10-3-17(10,8-24)9-26/h1-2,4-5,7,10,15,26H,3,6,8-9H2.
What are the key properties of [3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-1-yl]methanol?
[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-1-yl]methanol has a molecular weight of 358.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-1-yl]methanol is sourced from PubChem (CID 139357710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).