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

C19H20F2N6O — CID 139357702

IUPAC2-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
SMILESOC1CCC2CN(c3ccnc(-c4cnc5cnc(C(F)F)cn45)n3)CC2C1
InChIInChI=1S/C19H20F2N6O/c20-18(21)14-10-27-15(6-24-17(27)7-23-14)19-22-4-3-16(25-19)26-8-11-1-2-13(28)5-12(11)9-26/h3-4,6-7,10-13,18,28H,1-2,5,8-9H2
InChIKeyUCXWJHDXSVBFAC-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.72
Rot. Bonds3

About 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

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 (PubChem CID 139357702) has the molecular formula C19H20F2N6O and a molecular weight of 386.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
PubChem CID139357702
Molecular FormulaC19H20F2N6O
Molecular Weight386.41 g/mol
Exact Mass386.17
IUPAC Name2-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
SMILESOC1CCC2CN(c3ccnc(-c4cnc5cnc(C(F)F)cn45)n3)CC2C1
InChIInChI=1S/C19H20F2N6O/c20-18(21)14-10-27-15(6-24-17(27)7-23-14)19-22-4-3-16(25-19)26-8-11-1-2-13(28)5-12(11)9-26/h3-4,6-7,10-13,18,28H,1-2,5,8-9H2
InChIKeyUCXWJHDXSVBFAC-UHFFFAOYSA-N
XLogP2.72
TPSA79.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[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
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
[1-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]azepan-3-yl]methanol
CID 139358296
2-[2-[6-(Trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-8-oxa-2-azaspiro[4.5]decane
CID 139358405
2-[1-[2-[6-(Trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]propan-2-ol
CID 139358410
[1-[2-[6-(Trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 139358413
[1-[2-[6-(Trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 139358558

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is OC1CCC2CN(c3ccnc(-c4cnc5cnc(C(F)F)cn45)n3)CC2C1.
What is the InChIKey of 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?
The InChIKey is UCXWJHDXSVBFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6O/c20-18(21)14-10-27-15(6-24-17(27)7-23-14)19-22-4-3-16(25-19)26-8-11-1-2-13(28)5-12(11)9-26/h3-4,6-7,10-13,18,28H,1-2,5,8-9H2.
What are the key properties of 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?
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 has a molecular weight of 386.41 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139357702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).