2-[3-[3,5-difluoro-6-[[(1S,2S)-2-fluorocyclohexyl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol

C21H23F3N4O — CID 170240974

IUPAC2-[3-[3,5-difluoro-6-[[(1S,2S)-2-fluorocyclohexyl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
SMILESCC(C)(O)c1ccc2ncc(-c3nc(N[C@H]4CCCC[C@@H]4F)c(F)cc3F)n2c1
InChIInChI=1S/C21H23F3N4O/c1-21(2,29)12-7-8-18-25-10-17(28(18)11-12)19-14(23)9-15(24)20(27-19)26-16-6-4-3-5-13(16)22/h7-11,13,16,29H,3-6H2,1-2H3,(H,26,27)/t13-,16-/m0/s1
InChIKeyUZLGBCJLICADJI-BBRMVZONSA-N
MW404.44 g/mol
LogP4.59
Rot. Bonds4

About 2-[3-[3,5-difluoro-6-[[(1S,2S)-2-fluorocyclohexyl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol

2-[3-[3,5-difluoro-6-[[(1S,2S)-2-fluorocyclohexyl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol (PubChem CID 170240974) has the molecular formula C21H23F3N4O and a molecular weight of 404.44 g/mol. Its IUPAC name is 2-[3-[3,5-difluoro-6-[[(1S,2S)-2-fluorocyclohexyl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[3,5-difluoro-6-[[(1S,2S)-2-fluorocyclohexyl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
PubChem CID170240974
Molecular FormulaC21H23F3N4O
Molecular Weight404.44 g/mol
Exact Mass404.18
IUPAC Name2-[3-[3,5-difluoro-6-[[(1S,2S)-2-fluorocyclohexyl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
SMILESCC(C)(O)c1ccc2ncc(-c3nc(N[C@H]4CCCC[C@@H]4F)c(F)cc3F)n2c1
InChIInChI=1S/C21H23F3N4O/c1-21(2,29)12-7-8-18-25-10-17(28(18)11-12)19-14(23)9-15(24)20(27-19)26-16-6-4-3-5-13(16)22/h7-11,13,16,29H,3-6H2,1-2H3,(H,26,27)/t13-,16-/m0/s1
InChIKeyUZLGBCJLICADJI-BBRMVZONSA-N
XLogP4.59
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,5-difluoro-6-[[(1S,2S)-2-fluorocyclohexyl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The IUPAC name of 2-[3-[3,5-difluoro-6-[[(1S,2S)-2-fluorocyclohexyl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol (CID 170240974) is 2-[3-[3,5-difluoro-6-[[(1S,2S)-2-fluorocyclohexyl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[3,5-difluoro-6-[[(1S,2S)-2-fluorocyclohexyl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The canonical SMILES for 2-[3-[3,5-difluoro-6-[[(1S,2S)-2-fluorocyclohexyl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol is CC(C)(O)c1ccc2ncc(-c3nc(N[C@H]4CCCC[C@@H]4F)c(F)cc3F)n2c1.
What is the InChIKey of 2-[3-[3,5-difluoro-6-[[(1S,2S)-2-fluorocyclohexyl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
The InChIKey is UZLGBCJLICADJI-BBRMVZONSA-N. The full InChI is InChI=1S/C21H23F3N4O/c1-21(2,29)12-7-8-18-25-10-17(28(18)11-12)19-14(23)9-15(24)20(27-19)26-16-6-4-3-5-13(16)22/h7-11,13,16,29H,3-6H2,1-2H3,(H,26,27)/t13-,16-/m0/s1.
What are the key properties of 2-[3-[3,5-difluoro-6-[[(1S,2S)-2-fluorocyclohexyl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?
2-[3-[3,5-difluoro-6-[[(1S,2S)-2-fluorocyclohexyl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol has a molecular weight of 404.44 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3,5-difluoro-6-[[(1S,2S)-2-fluorocyclohexyl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol is sourced from PubChem (CID 170240974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).