(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-(6-fluoro-7,8-dihydroquinolin-4-yl)cyclohexyl]methanol

C26H28FN3O — CID 142308232

IUPAC(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-(6-fluoro-7,8-dihydroquinolin-4-yl)cyclohexyl]methanol
SMILESOC(c1c(C2CC2)ccn2cncc12)C1CCC(c2ccnc3c2C=C(F)CC3)CC1
InChIInChI=1S/C26H28FN3O/c27-19-7-8-23-22(13-19)20(9-11-29-23)16-3-5-18(6-4-16)26(31)25-21(17-1-2-17)10-12-30-15-28-14-24(25)30/h9-18,26,31H,1-8H2
InChIKeyACDYQVFXBJFEPE-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.87
Rot. Bonds4

About (7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-(6-fluoro-7,8-dihydroquinolin-4-yl)cyclohexyl]methanol

(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-(6-fluoro-7,8-dihydroquinolin-4-yl)cyclohexyl]methanol (PubChem CID 142308232) has the molecular formula C26H28FN3O and a molecular weight of 417.53 g/mol. Its IUPAC name is (7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-(6-fluoro-7,8-dihydroquinolin-4-yl)cyclohexyl]methanol.

Molecular Properties

Compound Name(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-(6-fluoro-7,8-dihydroquinolin-4-yl)cyclohexyl]methanol
PubChem CID142308232
Molecular FormulaC26H28FN3O
Molecular Weight417.53 g/mol
Exact Mass417.22
IUPAC Name(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-(6-fluoro-7,8-dihydroquinolin-4-yl)cyclohexyl]methanol
SMILESOC(c1c(C2CC2)ccn2cncc12)C1CCC(c2ccnc3c2C=C(F)CC3)CC1
InChIInChI=1S/C26H28FN3O/c27-19-7-8-23-22(13-19)20(9-11-29-23)16-3-5-18(6-4-16)26(31)25-21(17-1-2-17)10-12-30-15-28-14-24(25)30/h9-18,26,31H,1-8H2
InChIKeyACDYQVFXBJFEPE-UHFFFAOYSA-N
XLogP5.87
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-(6-fluoro-7,8-dihydroquinolin-4-yl)cyclohexyl]methanol with MolForge

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Related Compounds

(S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,6,7,8,9-hexahydroimidazo[1,5-b]isoquinolin-6-yl)-1-(pyridin-3-yl)ethanol
CID 45486477
(S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,6,7,8,9-hexahydroimidazo[1,5-b]isoquinolin-6-yl)-1-(pyridin-4-yl)ethanol
CID 45486485
US10233190, Example 1474
CID 66558723
US10233190, Example 1501
CID 66558811
2-(5-(6-Fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)pyridin-3-yl)propan-2-ol
CID 86730381
2-[5-(3-Cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]propan-2-ol
CID 89471892
(7S,8S)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroisoquinolin-8-ol
CID 129282870
(5S,6S)-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroisoquinolin-5-ol
CID 129296385
[4-[[2-(2-Fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol
CID 44427151
[4-(8-Amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanol
CID 71553143
(2S)-2-[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
CID 134139925
(2R)-2-[5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
CID 134148873

Frequently Asked Questions

What is the IUPAC name of (7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-(6-fluoro-7,8-dihydroquinolin-4-yl)cyclohexyl]methanol?
The IUPAC name of (7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-(6-fluoro-7,8-dihydroquinolin-4-yl)cyclohexyl]methanol (CID 142308232) is (7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-(6-fluoro-7,8-dihydroquinolin-4-yl)cyclohexyl]methanol.
What is the SMILES notation for (7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-(6-fluoro-7,8-dihydroquinolin-4-yl)cyclohexyl]methanol?
The canonical SMILES for (7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-(6-fluoro-7,8-dihydroquinolin-4-yl)cyclohexyl]methanol is OC(c1c(C2CC2)ccn2cncc12)C1CCC(c2ccnc3c2C=C(F)CC3)CC1.
What is the InChIKey of (7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-(6-fluoro-7,8-dihydroquinolin-4-yl)cyclohexyl]methanol?
The InChIKey is ACDYQVFXBJFEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O/c27-19-7-8-23-22(13-19)20(9-11-29-23)16-3-5-18(6-4-16)26(31)25-21(17-1-2-17)10-12-30-15-28-14-24(25)30/h9-18,26,31H,1-8H2.
What are the key properties of (7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-(6-fluoro-7,8-dihydroquinolin-4-yl)cyclohexyl]methanol?
(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-(6-fluoro-7,8-dihydroquinolin-4-yl)cyclohexyl]methanol has a molecular weight of 417.53 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[4-(6-fluoro-7,8-dihydroquinolin-4-yl)cyclohexyl]methanol is sourced from PubChem (CID 142308232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).