1-[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyrazin-3-yl]-3-(3,4-difluorophenyl)propan-1-one

C23H25F2N3O2 — CID 160622910

IUPAC1-[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyrazin-3-yl]-3-(3,4-difluorophenyl)propan-1-one
SMILESCc1nc2c(OCC3CCCCC3)nccn2c1C(=O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C23H25F2N3O2/c1-15-21(20(29)10-8-16-7-9-18(24)19(25)13-16)28-12-11-26-23(22(28)27-15)30-14-17-5-3-2-4-6-17/h7,9,11-13,17H,2-6,8,10,14H2,1H3
InChIKeyRGXXKOVOTLVAJA-UHFFFAOYSA-N
MW413.47 g/mol
LogP5.09
Rot. Bonds7

About 1-[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyrazin-3-yl]-3-(3,4-difluorophenyl)propan-1-one

1-[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyrazin-3-yl]-3-(3,4-difluorophenyl)propan-1-one (PubChem CID 160622910) has the molecular formula C23H25F2N3O2 and a molecular weight of 413.47 g/mol. Its IUPAC name is 1-[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyrazin-3-yl]-3-(3,4-difluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyrazin-3-yl]-3-(3,4-difluorophenyl)propan-1-one
PubChem CID160622910
Molecular FormulaC23H25F2N3O2
Molecular Weight413.47 g/mol
Exact Mass413.19
IUPAC Name1-[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyrazin-3-yl]-3-(3,4-difluorophenyl)propan-1-one
SMILESCc1nc2c(OCC3CCCCC3)nccn2c1C(=O)CCc1ccc(F)c(F)c1
InChIInChI=1S/C23H25F2N3O2/c1-15-21(20(29)10-8-16-7-9-18(24)19(25)13-16)28-12-11-26-23(22(28)27-15)30-14-17-5-3-2-4-6-17/h7,9,11-13,17H,2-6,8,10,14H2,1H3
InChIKeyRGXXKOVOTLVAJA-UHFFFAOYSA-N
XLogP5.09
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.47
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyrazin-3-yl]-3-(3,4-difluorophenyl)propan-1-one?
The IUPAC name of 1-[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyrazin-3-yl]-3-(3,4-difluorophenyl)propan-1-one (CID 160622910) is 1-[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyrazin-3-yl]-3-(3,4-difluorophenyl)propan-1-one.
What is the SMILES notation for 1-[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyrazin-3-yl]-3-(3,4-difluorophenyl)propan-1-one?
The canonical SMILES for 1-[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyrazin-3-yl]-3-(3,4-difluorophenyl)propan-1-one is Cc1nc2c(OCC3CCCCC3)nccn2c1C(=O)CCc1ccc(F)c(F)c1.
What is the InChIKey of 1-[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyrazin-3-yl]-3-(3,4-difluorophenyl)propan-1-one?
The InChIKey is RGXXKOVOTLVAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O2/c1-15-21(20(29)10-8-16-7-9-18(24)19(25)13-16)28-12-11-26-23(22(28)27-15)30-14-17-5-3-2-4-6-17/h7,9,11-13,17H,2-6,8,10,14H2,1H3.
What are the key properties of 1-[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyrazin-3-yl]-3-(3,4-difluorophenyl)propan-1-one?
1-[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyrazin-3-yl]-3-(3,4-difluorophenyl)propan-1-one has a molecular weight of 413.47 g/mol, XLogP of 5.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyrazin-3-yl]-3-(3,4-difluorophenyl)propan-1-one is sourced from PubChem (CID 160622910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).