(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanol

C25H25FN4O — CID 134381176

IUPAC(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanol
SMILESOC(c1c(C2CC2)ccn2cncc12)C1CCN(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C25H25FN4O/c26-18-3-4-21-20(13-18)22(5-9-28-21)29-10-6-17(7-11-29)25(31)24-19(16-1-2-16)8-12-30-15-27-14-23(24)30/h3-5,8-9,12-17,25,31H,1-2,6-7,10-11H2
InChIKeyGSMJSFRHFHCIRB-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.85
Rot. Bonds4

About (7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanol

(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanol (PubChem CID 134381176) has the molecular formula C25H25FN4O and a molecular weight of 416.50 g/mol. Its IUPAC name is (7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanol
PubChem CID134381176
Molecular FormulaC25H25FN4O
Molecular Weight416.50 g/mol
Exact Mass416.20
IUPAC Name(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanol
SMILESOC(c1c(C2CC2)ccn2cncc12)C1CCN(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C25H25FN4O/c26-18-3-4-21-20(13-18)22(5-9-28-21)29-10-6-17(7-11-29)25(31)24-19(16-1-2-16)8-12-30-15-27-14-23(24)30/h3-5,8-9,12-17,25,31H,1-2,6-7,10-11H2
InChIKeyGSMJSFRHFHCIRB-UHFFFAOYSA-N
XLogP4.85
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanol?
The IUPAC name of (7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanol (CID 134381176) is (7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanol.
What is the SMILES notation for (7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanol?
The canonical SMILES for (7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanol is OC(c1c(C2CC2)ccn2cncc12)C1CCN(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of (7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanol?
The InChIKey is GSMJSFRHFHCIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O/c26-18-3-4-21-20(13-18)22(5-9-28-21)29-10-6-17(7-11-29)25(31)24-19(16-1-2-16)8-12-30-15-27-14-23(24)30/h3-5,8-9,12-17,25,31H,1-2,6-7,10-11H2.
What are the key properties of (7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanol?
(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanol has a molecular weight of 416.50 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 134381176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).