(R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol;(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol

C44H48F2N6O2 — CID 159435173

IUPAC(R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol;(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol
SMILESO[C@@H](c1c(C2CC2)ccc2cncn12)C1CCN(c2cccc(F)c2)CC1.O[C@H](c1c(C2CC2)ccc2cncn12)C1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/2C22H24FN3O/c2*23-17-2-1-3-18(12-17)25-10-8-16(9-11-25)22(27)21-20(15-4-5-15)7-6-19-13-24-14-26(19)21/h2*1-3,6-7,12-16,22,27H,4-5,8-11H2/t2*22-/m10/s1
InChIKeyLRMJFPDFMYSCKT-IKXJNKEISA-N
MW730.90 g/mol
LogP8.60
Rot. Bonds8

About (R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol;(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol

(R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol;(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol (PubChem CID 159435173) has the molecular formula C44H48F2N6O2 and a molecular weight of 730.90 g/mol. Its IUPAC name is (R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol;(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name(R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol;(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol
PubChem CID159435173
Molecular FormulaC44H48F2N6O2
Molecular Weight730.90 g/mol
Exact Mass730.38
IUPAC Name(R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol;(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol
SMILESO[C@@H](c1c(C2CC2)ccc2cncn12)C1CCN(c2cccc(F)c2)CC1.O[C@H](c1c(C2CC2)ccc2cncn12)C1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/2C22H24FN3O/c2*23-17-2-1-3-18(12-17)25-10-8-16(9-11-25)22(27)21-20(15-4-5-15)7-6-19-13-24-14-26(19)21/h2*1-3,6-7,12-16,22,27H,4-5,8-11H2/t2*22-/m10/s1
InChIKeyLRMJFPDFMYSCKT-IKXJNKEISA-N
XLogP8.60
TPSA81.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.90
LogP ≤ 58.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol;(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol;(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol?
The IUPAC name of (R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol;(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol (CID 159435173) is (R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol;(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol.
What is the SMILES notation for (R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol;(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol?
The canonical SMILES for (R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol;(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol is O[C@@H](c1c(C2CC2)ccc2cncn12)C1CCN(c2cccc(F)c2)CC1.O[C@H](c1c(C2CC2)ccc2cncn12)C1CCN(c2cccc(F)c2)CC1.
What is the InChIKey of (R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol;(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol?
The InChIKey is LRMJFPDFMYSCKT-IKXJNKEISA-N. The full InChI is InChI=1S/2C22H24FN3O/c2*23-17-2-1-3-18(12-17)25-10-8-16(9-11-25)22(27)21-20(15-4-5-15)7-6-19-13-24-14-26(19)21/h2*1-3,6-7,12-16,22,27H,4-5,8-11H2/t2*22-/m10/s1.
What are the key properties of (R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol;(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol?
(R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol;(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol has a molecular weight of 730.90 g/mol, XLogP of 8.60, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol;(S)-(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-[1-(3-fluorophenyl)piperidin-4-yl]methanol is sourced from PubChem (CID 159435173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).