7-chloro-3-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]-1-(4-methoxyphenyl)imidazo[1,5-a]pyridine

C27H26ClN3O — CID 11247763

IUPAC7-chloro-3-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]-1-(4-methoxyphenyl)imidazo[1,5-a]pyridine
SMILESCOc1ccc(-c2nc(C3CCN(C4Cc5ccccc5C4)C3)n3ccc(Cl)cc23)cc1
InChIInChI=1S/C27H26ClN3O/c1-32-24-8-6-18(7-9-24)26-25-16-22(28)11-13-31(25)27(29-26)21-10-12-30(17-21)23-14-19-4-2-3-5-20(19)15-23/h2-9,11,13,16,21,23H,10,12,14-15,17H2,1H3
InChIKeyGMESWLPBJVISRV-UHFFFAOYSA-N
MW443.98 g/mol
LogP5.62
Rot. Bonds4

About 7-chloro-3-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]-1-(4-methoxyphenyl)imidazo[1,5-a]pyridine

7-chloro-3-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]-1-(4-methoxyphenyl)imidazo[1,5-a]pyridine (PubChem CID 11247763) has the molecular formula C27H26ClN3O and a molecular weight of 443.98 g/mol. Its IUPAC name is 7-chloro-3-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]-1-(4-methoxyphenyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name7-chloro-3-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]-1-(4-methoxyphenyl)imidazo[1,5-a]pyridine
PubChem CID11247763
Molecular FormulaC27H26ClN3O
Molecular Weight443.98 g/mol
Exact Mass443.18
IUPAC Name7-chloro-3-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]-1-(4-methoxyphenyl)imidazo[1,5-a]pyridine
SMILESCOc1ccc(-c2nc(C3CCN(C4Cc5ccccc5C4)C3)n3ccc(Cl)cc23)cc1
InChIInChI=1S/C27H26ClN3O/c1-32-24-8-6-18(7-9-24)26-25-16-22(28)11-13-31(25)27(29-26)21-10-12-30(17-21)23-14-19-4-2-3-5-20(19)15-23/h2-9,11,13,16,21,23H,10,12,14-15,17H2,1H3
InChIKeyGMESWLPBJVISRV-UHFFFAOYSA-N
XLogP5.62
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.98
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]-1-(4-methoxyphenyl)imidazo[1,5-a]pyridine?
The IUPAC name of 7-chloro-3-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]-1-(4-methoxyphenyl)imidazo[1,5-a]pyridine (CID 11247763) is 7-chloro-3-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]-1-(4-methoxyphenyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 7-chloro-3-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]-1-(4-methoxyphenyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 7-chloro-3-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]-1-(4-methoxyphenyl)imidazo[1,5-a]pyridine is COc1ccc(-c2nc(C3CCN(C4Cc5ccccc5C4)C3)n3ccc(Cl)cc23)cc1.
What is the InChIKey of 7-chloro-3-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]-1-(4-methoxyphenyl)imidazo[1,5-a]pyridine?
The InChIKey is GMESWLPBJVISRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O/c1-32-24-8-6-18(7-9-24)26-25-16-22(28)11-13-31(25)27(29-26)21-10-12-30(17-21)23-14-19-4-2-3-5-20(19)15-23/h2-9,11,13,16,21,23H,10,12,14-15,17H2,1H3.
What are the key properties of 7-chloro-3-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]-1-(4-methoxyphenyl)imidazo[1,5-a]pyridine?
7-chloro-3-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]-1-(4-methoxyphenyl)imidazo[1,5-a]pyridine has a molecular weight of 443.98 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]-1-(4-methoxyphenyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 11247763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).