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

C17H18F2N6O — CID 139358550

IUPAC[(2R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-2-yl]methanol
SMILESOC[C@H]1CCCCN1c1ccnc(-c2cnc3cnc(C(F)F)cn23)n1
InChIInChI=1S/C17H18F2N6O/c18-16(19)12-9-25-13(7-22-15(25)8-21-12)17-20-5-4-14(23-17)24-6-2-1-3-11(24)10-26/h4-5,7-9,11,16,26H,1-3,6,10H2/t11-/m1/s1
InChIKeyGQXKDQGRVFFARH-LLVKDONJSA-N
MW360.37 g/mol
LogP2.48
Rot. Bonds4

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

[(2R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-2-yl]methanol (PubChem CID 139358550) has the molecular formula C17H18F2N6O and a molecular weight of 360.37 g/mol. Its IUPAC name is [(2R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-2-yl]methanol
PubChem CID139358550
Molecular FormulaC17H18F2N6O
Molecular Weight360.37 g/mol
Exact Mass360.15
IUPAC Name[(2R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-2-yl]methanol
SMILESOC[C@H]1CCCCN1c1ccnc(-c2cnc3cnc(C(F)F)cn23)n1
InChIInChI=1S/C17H18F2N6O/c18-16(19)12-9-25-13(7-22-15(25)8-21-12)17-20-5-4-14(23-17)24-6-2-1-3-11(24)10-26/h4-5,7-9,11,16,26H,1-3,6,10H2/t11-/m1/s1
InChIKeyGQXKDQGRVFFARH-LLVKDONJSA-N
XLogP2.48
TPSA79.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine
CID 139343435
1-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine
CID 139343437
3-[1-[2-[6-(Trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]propan-1-ol
CID 139343579
N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]formamide
CID 139343611
(3S)-N-(diamino-hydroxy-oxo-lambda6-sulfanyl)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-3-amine
CID 139343966
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
[(2R)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methanamine
CID 139357655
6-(difluoromethyl)-3-[4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 139357700
4-[2-[6-(Difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,6-dimethylmorpholine
CID 139357704
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

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-2-yl]methanol (CID 139358550) is [(2R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-2-yl]methanol is OC[C@H]1CCCCN1c1ccnc(-c2cnc3cnc(C(F)F)cn23)n1.
What is the InChIKey of [(2R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-2-yl]methanol?
The InChIKey is GQXKDQGRVFFARH-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18F2N6O/c18-16(19)12-9-25-13(7-22-15(25)8-21-12)17-20-5-4-14(23-17)24-6-2-1-3-11(24)10-26/h4-5,7-9,11,16,26H,1-3,6,10H2/t11-/m1/s1.
What are the key properties of [(2R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-2-yl]methanol?
[(2R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-2-yl]methanol has a molecular weight of 360.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-2-yl]methanol is sourced from PubChem (CID 139358550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).