(R)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-(4-naphthalen-1-ylcyclohexyl)methanol;(S)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-(4-naphthalen-1-ylcyclohexyl)methanol

C48H46Cl2N4O2 — CID 158082446

IUPAC(R)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-(4-naphthalen-1-ylcyclohexyl)methanol;(S)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-(4-naphthalen-1-ylcyclohexyl)methanol
SMILESO[C@@H](c1cc(Cl)cc2cncn12)C1CCC(c2cccc3ccccc23)CC1.O[C@H](c1cc(Cl)cc2cncn12)C1CCC(c2cccc3ccccc23)CC1
InChIInChI=1S/2C24H23ClN2O/c2*25-19-12-20-14-26-15-27(20)23(13-19)24(28)18-10-8-17(9-11-18)22-7-3-5-16-4-1-2-6-21(16)22/h2*1-7,12-15,17-18,24,28H,8-11H2/t2*17?,18?,24-/m10/s1
InChIKeyFNCRAACPWAUVCD-VSLCRRJHSA-N
MW781.83 g/mol
LogP12.30
Rot. Bonds6

About (R)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-(4-naphthalen-1-ylcyclohexyl)methanol;(S)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-(4-naphthalen-1-ylcyclohexyl)methanol

(R)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-(4-naphthalen-1-ylcyclohexyl)methanol;(S)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-(4-naphthalen-1-ylcyclohexyl)methanol (PubChem CID 158082446) has the molecular formula C48H46Cl2N4O2 and a molecular weight of 781.83 g/mol. Its IUPAC name is (R)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-(4-naphthalen-1-ylcyclohexyl)methanol;(S)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-(4-naphthalen-1-ylcyclohexyl)methanol.

Molecular Properties

Compound Name(R)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-(4-naphthalen-1-ylcyclohexyl)methanol;(S)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-(4-naphthalen-1-ylcyclohexyl)methanol
PubChem CID158082446
Molecular FormulaC48H46Cl2N4O2
Molecular Weight781.83 g/mol
Exact Mass780.30
IUPAC Name(R)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-(4-naphthalen-1-ylcyclohexyl)methanol;(S)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-(4-naphthalen-1-ylcyclohexyl)methanol
SMILESO[C@@H](c1cc(Cl)cc2cncn12)C1CCC(c2cccc3ccccc23)CC1.O[C@H](c1cc(Cl)cc2cncn12)C1CCC(c2cccc3ccccc23)CC1
InChIInChI=1S/2C24H23ClN2O/c2*25-19-12-20-14-26-15-27(20)23(13-19)24(28)18-10-8-17(9-11-18)22-7-3-5-16-4-1-2-6-21(16)22/h2*1-7,12-15,17-18,24,28H,8-11H2/t2*17?,18?,24-/m10/s1
InChIKeyFNCRAACPWAUVCD-VSLCRRJHSA-N
XLogP12.30
TPSA75.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.83
LogP ≤ 512.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (R)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-(4-naphthalen-1-ylcyclohexyl)methanol;(S)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-(4-naphthalen-1-ylcyclohexyl)methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (R)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-(4-naphthalen-1-ylcyclohexyl)methanol;(S)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-(4-naphthalen-1-ylcyclohexyl)methanol?
The IUPAC name of (R)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-(4-naphthalen-1-ylcyclohexyl)methanol;(S)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-(4-naphthalen-1-ylcyclohexyl)methanol (CID 158082446) is (R)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-(4-naphthalen-1-ylcyclohexyl)methanol;(S)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-(4-naphthalen-1-ylcyclohexyl)methanol.
What is the SMILES notation for (R)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-(4-naphthalen-1-ylcyclohexyl)methanol;(S)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-(4-naphthalen-1-ylcyclohexyl)methanol?
The canonical SMILES for (R)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-(4-naphthalen-1-ylcyclohexyl)methanol;(S)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-(4-naphthalen-1-ylcyclohexyl)methanol is O[C@@H](c1cc(Cl)cc2cncn12)C1CCC(c2cccc3ccccc23)CC1.O[C@H](c1cc(Cl)cc2cncn12)C1CCC(c2cccc3ccccc23)CC1.
What is the InChIKey of (R)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-(4-naphthalen-1-ylcyclohexyl)methanol;(S)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-(4-naphthalen-1-ylcyclohexyl)methanol?
The InChIKey is FNCRAACPWAUVCD-VSLCRRJHSA-N. The full InChI is InChI=1S/2C24H23ClN2O/c2*25-19-12-20-14-26-15-27(20)23(13-19)24(28)18-10-8-17(9-11-18)22-7-3-5-16-4-1-2-6-21(16)22/h2*1-7,12-15,17-18,24,28H,8-11H2/t2*17?,18?,24-/m10/s1.
What are the key properties of (R)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-(4-naphthalen-1-ylcyclohexyl)methanol;(S)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-(4-naphthalen-1-ylcyclohexyl)methanol?
(R)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-(4-naphthalen-1-ylcyclohexyl)methanol;(S)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-(4-naphthalen-1-ylcyclohexyl)methanol has a molecular weight of 781.83 g/mol, XLogP of 12.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-(4-naphthalen-1-ylcyclohexyl)methanol;(S)-(7-chloroimidazo[1,5-a]pyridin-5-yl)-(4-naphthalen-1-ylcyclohexyl)methanol is sourced from PubChem (CID 158082446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).