(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-naphthalen-1-ylcyclohexyl)methanol

C27H28N2O — CID 134381351

IUPAC(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-naphthalen-1-ylcyclohexyl)methanol
SMILESO[C@H](c1c(C2CC2)ccn2cncc12)C1CCC(c2cccc3ccccc23)CC1
InChIInChI=1S/C27H28N2O/c30-27(26-24(20-8-9-20)14-15-29-17-28-16-25(26)29)21-12-10-19(11-13-21)23-7-3-5-18-4-1-2-6-22(18)23/h1-7,14-17,19-21,27,30H,8-13H2/t19?,21?,27-/m0/s1
InChIKeyIRDQDXPTKIVUEP-GASOQUEOSA-N
MW396.53 g/mol
LogP6.37
Rot. Bonds4

About (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-naphthalen-1-ylcyclohexyl)methanol

(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-naphthalen-1-ylcyclohexyl)methanol (PubChem CID 134381351) has the molecular formula C27H28N2O and a molecular weight of 396.53 g/mol. Its IUPAC name is (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-naphthalen-1-ylcyclohexyl)methanol.

Molecular Properties

Compound Name(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-naphthalen-1-ylcyclohexyl)methanol
PubChem CID134381351
Molecular FormulaC27H28N2O
Molecular Weight396.53 g/mol
Exact Mass396.22
IUPAC Name(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-naphthalen-1-ylcyclohexyl)methanol
SMILESO[C@H](c1c(C2CC2)ccn2cncc12)C1CCC(c2cccc3ccccc23)CC1
InChIInChI=1S/C27H28N2O/c30-27(26-24(20-8-9-20)14-15-29-17-28-16-25(26)29)21-12-10-19(11-13-21)23-7-3-5-18-4-1-2-6-22(18)23/h1-7,14-17,19-21,27,30H,8-13H2/t19?,21?,27-/m0/s1
InChIKeyIRDQDXPTKIVUEP-GASOQUEOSA-N
XLogP6.37
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-naphthalen-1-ylcyclohexyl)methanol?
The IUPAC name of (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-naphthalen-1-ylcyclohexyl)methanol (CID 134381351) is (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-naphthalen-1-ylcyclohexyl)methanol.
What is the SMILES notation for (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-naphthalen-1-ylcyclohexyl)methanol?
The canonical SMILES for (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-naphthalen-1-ylcyclohexyl)methanol is O[C@H](c1c(C2CC2)ccn2cncc12)C1CCC(c2cccc3ccccc23)CC1.
What is the InChIKey of (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-naphthalen-1-ylcyclohexyl)methanol?
The InChIKey is IRDQDXPTKIVUEP-GASOQUEOSA-N. The full InChI is InChI=1S/C27H28N2O/c30-27(26-24(20-8-9-20)14-15-29-17-28-16-25(26)29)21-12-10-19(11-13-21)23-7-3-5-18-4-1-2-6-22(18)23/h1-7,14-17,19-21,27,30H,8-13H2/t19?,21?,27-/m0/s1.
What are the key properties of (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-naphthalen-1-ylcyclohexyl)methanol?
(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-naphthalen-1-ylcyclohexyl)methanol has a molecular weight of 396.53 g/mol, XLogP of 6.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-naphthalen-1-ylcyclohexyl)methanol is sourced from PubChem (CID 134381351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).