5-[(1S)-1-[4-(1-benzothiophen-5-yl)cyclohexyl]ethyl]-6-cyclopropylimidazo[1,5-a]pyridine

C26H28N2S — CID 142308199

IUPAC5-[(1S)-1-[4-(1-benzothiophen-5-yl)cyclohexyl]ethyl]-6-cyclopropylimidazo[1,5-a]pyridine
SMILESC[C@H](c1c(C2CC2)ccc2cncn12)C1CCC(c2ccc3sccc3c2)CC1
InChIInChI=1S/C26H28N2S/c1-17(26-24(20-6-7-20)10-9-23-15-27-16-28(23)26)18-2-4-19(5-3-18)21-8-11-25-22(14-21)12-13-29-25/h8-20H,2-7H2,1H3/t17-,18?,19?/m0/s1
InChIKeyUUWUZYSLXVPPGS-VIQWUECVSA-N
MW400.59 g/mol
LogP7.50
Rot. Bonds4

About 5-[(1S)-1-[4-(1-benzothiophen-5-yl)cyclohexyl]ethyl]-6-cyclopropylimidazo[1,5-a]pyridine

5-[(1S)-1-[4-(1-benzothiophen-5-yl)cyclohexyl]ethyl]-6-cyclopropylimidazo[1,5-a]pyridine (PubChem CID 142308199) has the molecular formula C26H28N2S and a molecular weight of 400.59 g/mol. Its IUPAC name is 5-[(1S)-1-[4-(1-benzothiophen-5-yl)cyclohexyl]ethyl]-6-cyclopropylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name5-[(1S)-1-[4-(1-benzothiophen-5-yl)cyclohexyl]ethyl]-6-cyclopropylimidazo[1,5-a]pyridine
PubChem CID142308199
Molecular FormulaC26H28N2S
Molecular Weight400.59 g/mol
Exact Mass400.20
IUPAC Name5-[(1S)-1-[4-(1-benzothiophen-5-yl)cyclohexyl]ethyl]-6-cyclopropylimidazo[1,5-a]pyridine
SMILESC[C@H](c1c(C2CC2)ccc2cncn12)C1CCC(c2ccc3sccc3c2)CC1
InChIInChI=1S/C26H28N2S/c1-17(26-24(20-6-7-20)10-9-23-15-27-16-28(23)26)18-2-4-19(5-3-18)21-8-11-25-22(14-21)12-13-29-25/h8-20H,2-7H2,1H3/t17-,18?,19?/m0/s1
InChIKeyUUWUZYSLXVPPGS-VIQWUECVSA-N
XLogP7.50
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.59
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-[4-(1-benzothiophen-5-yl)cyclohexyl]ethyl]-6-cyclopropylimidazo[1,5-a]pyridine?
The IUPAC name of 5-[(1S)-1-[4-(1-benzothiophen-5-yl)cyclohexyl]ethyl]-6-cyclopropylimidazo[1,5-a]pyridine (CID 142308199) is 5-[(1S)-1-[4-(1-benzothiophen-5-yl)cyclohexyl]ethyl]-6-cyclopropylimidazo[1,5-a]pyridine.
What is the SMILES notation for 5-[(1S)-1-[4-(1-benzothiophen-5-yl)cyclohexyl]ethyl]-6-cyclopropylimidazo[1,5-a]pyridine?
The canonical SMILES for 5-[(1S)-1-[4-(1-benzothiophen-5-yl)cyclohexyl]ethyl]-6-cyclopropylimidazo[1,5-a]pyridine is C[C@H](c1c(C2CC2)ccc2cncn12)C1CCC(c2ccc3sccc3c2)CC1.
What is the InChIKey of 5-[(1S)-1-[4-(1-benzothiophen-5-yl)cyclohexyl]ethyl]-6-cyclopropylimidazo[1,5-a]pyridine?
The InChIKey is UUWUZYSLXVPPGS-VIQWUECVSA-N. The full InChI is InChI=1S/C26H28N2S/c1-17(26-24(20-6-7-20)10-9-23-15-27-16-28(23)26)18-2-4-19(5-3-18)21-8-11-25-22(14-21)12-13-29-25/h8-20H,2-7H2,1H3/t17-,18?,19?/m0/s1.
What are the key properties of 5-[(1S)-1-[4-(1-benzothiophen-5-yl)cyclohexyl]ethyl]-6-cyclopropylimidazo[1,5-a]pyridine?
5-[(1S)-1-[4-(1-benzothiophen-5-yl)cyclohexyl]ethyl]-6-cyclopropylimidazo[1,5-a]pyridine has a molecular weight of 400.59 g/mol, XLogP of 7.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-[4-(1-benzothiophen-5-yl)cyclohexyl]ethyl]-6-cyclopropylimidazo[1,5-a]pyridine is sourced from PubChem (CID 142308199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).