2-ethyl-1-[7-[(1R,2R)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]hexan-1-ol

C18H25FN2O — CID 122609476

IUPAC2-ethyl-1-[7-[(1R,2R)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]hexan-1-ol
SMILESCCCCC(CC)C(O)c1c([C@H]2C[C@H]2F)ccn2cncc12
InChIInChI=1S/C18H25FN2O/c1-3-5-6-12(4-2)18(22)17-13(14-9-15(14)19)7-8-21-11-20-10-16(17)21/h7-8,10-12,14-15,18,22H,3-6,9H2,1-2H3/t12?,14-,15-,18?/m1/s1
InChIKeyIGTBCGLGBIMJCH-HBSJQHRPSA-N
MW304.41 g/mol
LogP4.41
Rot. Bonds7

About 2-ethyl-1-[7-[(1R,2R)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]hexan-1-ol

2-ethyl-1-[7-[(1R,2R)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]hexan-1-ol (PubChem CID 122609476) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is 2-ethyl-1-[7-[(1R,2R)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]hexan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-[7-[(1R,2R)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]hexan-1-ol
PubChem CID122609476
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name2-ethyl-1-[7-[(1R,2R)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]hexan-1-ol
SMILESCCCCC(CC)C(O)c1c([C@H]2C[C@H]2F)ccn2cncc12
InChIInChI=1S/C18H25FN2O/c1-3-5-6-12(4-2)18(22)17-13(14-9-15(14)19)7-8-21-11-20-10-16(17)21/h7-8,10-12,14-15,18,22H,3-6,9H2,1-2H3/t12?,14-,15-,18?/m1/s1
InChIKeyIGTBCGLGBIMJCH-HBSJQHRPSA-N
XLogP4.41
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[7-[(1R,2R)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]hexan-1-ol?
The IUPAC name of 2-ethyl-1-[7-[(1R,2R)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]hexan-1-ol (CID 122609476) is 2-ethyl-1-[7-[(1R,2R)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]hexan-1-ol.
What is the SMILES notation for 2-ethyl-1-[7-[(1R,2R)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]hexan-1-ol?
The canonical SMILES for 2-ethyl-1-[7-[(1R,2R)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]hexan-1-ol is CCCCC(CC)C(O)c1c([C@H]2C[C@H]2F)ccn2cncc12.
What is the InChIKey of 2-ethyl-1-[7-[(1R,2R)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]hexan-1-ol?
The InChIKey is IGTBCGLGBIMJCH-HBSJQHRPSA-N. The full InChI is InChI=1S/C18H25FN2O/c1-3-5-6-12(4-2)18(22)17-13(14-9-15(14)19)7-8-21-11-20-10-16(17)21/h7-8,10-12,14-15,18,22H,3-6,9H2,1-2H3/t12?,14-,15-,18?/m1/s1.
What are the key properties of 2-ethyl-1-[7-[(1R,2R)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]hexan-1-ol?
2-ethyl-1-[7-[(1R,2R)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]hexan-1-ol has a molecular weight of 304.41 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[7-[(1R,2R)-2-fluorocyclopropyl]imidazo[1,5-a]pyridin-8-yl]hexan-1-ol is sourced from PubChem (CID 122609476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).