1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]ethanone

C23H25F2N5O2 — CID 165008565

IUPAC1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]ethanone
SMILESO=C(Cc1cn2cc(C3CCOCC3)nc2c(N2CCCC2)n1)c1cccc(C(F)F)n1
InChIInChI=1S/C23H25F2N5O2/c24-21(25)18-5-3-4-17(27-18)20(31)12-16-13-30-14-19(15-6-10-32-11-7-15)28-23(30)22(26-16)29-8-1-2-9-29/h3-5,13-15,21H,1-2,6-12H2
InChIKeyJIPHGMKDVLEROV-UHFFFAOYSA-N
MW441.48 g/mol
LogP3.98
Rot. Bonds6

About 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]ethanone

1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]ethanone (PubChem CID 165008565) has the molecular formula C23H25F2N5O2 and a molecular weight of 441.48 g/mol. Its IUPAC name is 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]ethanone.

Molecular Properties

Compound Name1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]ethanone
PubChem CID165008565
Molecular FormulaC23H25F2N5O2
Molecular Weight441.48 g/mol
Exact Mass441.20
IUPAC Name1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]ethanone
SMILESO=C(Cc1cn2cc(C3CCOCC3)nc2c(N2CCCC2)n1)c1cccc(C(F)F)n1
InChIInChI=1S/C23H25F2N5O2/c24-21(25)18-5-3-4-17(27-18)20(31)12-16-13-30-14-19(15-6-10-32-11-7-15)28-23(30)22(26-16)29-8-1-2-9-29/h3-5,13-15,21H,1-2,6-12H2
InChIKeyJIPHGMKDVLEROV-UHFFFAOYSA-N
XLogP3.98
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-Fluoro-2-(trifluoromethyl)phenyl)(1-(morpholinomethyl)imidazo[1,5-a]pyridin-3-yl)methanone
CID 54585060
1-[1-(Imidazo[1,2-A]pyridin-5-Yl)-7-(Morpholin-4-Yl)indolizin-3-Yl]ethanone
CID 127038798
Aminoimidazo[1,2-a]pyridine deriv. 41
CID 5330638
2-[2-Tert-butyl-6-(3,3-difluoropyrrolidin-1-yl)purin-9-yl]-1-pyridin-2-ylethanone
CID 86763372
N-[[4-fluoro-1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
CID 127041780
6-(difluoromethyl)-N-[7-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655717
6-(difluoromethyl)-N-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655885
US9550771, Example 7
CID 117964988
[(3S)-1-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 97936327
1-(1-Imidazo[1,2-a]pyridin-5-yl-7-morpholin-4-ylindolizin-3-yl)propan-1-one
CID 127039445
2,2,2-Trifluoro-1-(1-imidazo[1,2-a]pyridin-5-yl-7-morpholin-4-ylindolizin-3-yl)ethanone
CID 127039446
1-[1-Imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]-2-methylpropan-1-one
CID 127039448

Frequently Asked Questions

What is the IUPAC name of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]ethanone?
The IUPAC name of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]ethanone (CID 165008565) is 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]ethanone.
What is the SMILES notation for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]ethanone?
The canonical SMILES for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]ethanone is O=C(Cc1cn2cc(C3CCOCC3)nc2c(N2CCCC2)n1)c1cccc(C(F)F)n1.
What is the InChIKey of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]ethanone?
The InChIKey is JIPHGMKDVLEROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5O2/c24-21(25)18-5-3-4-17(27-18)20(31)12-16-13-30-14-19(15-6-10-32-11-7-15)28-23(30)22(26-16)29-8-1-2-9-29/h3-5,13-15,21H,1-2,6-12H2.
What are the key properties of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]ethanone?
1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]ethanone has a molecular weight of 441.48 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(oxan-4-yl)-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazin-6-yl]ethanone is sourced from PubChem (CID 165008565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).