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

C27H27N3O — CID 11223578

IUPAC3-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]-1-(3-methoxyphenyl)imidazo[1,5-a]pyridine
SMILESCOc1cccc(-c2nc(C3CCN(C4Cc5ccccc5C4)C3)n3ccccc23)c1
InChIInChI=1S/C27H27N3O/c1-31-24-10-6-9-21(17-24)26-25-11-4-5-13-30(25)27(28-26)22-12-14-29(18-22)23-15-19-7-2-3-8-20(19)16-23/h2-11,13,17,22-23H,12,14-16,18H2,1H3
InChIKeyXBBUINKURHNIKT-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.97
Rot. Bonds4

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

3-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]-1-(3-methoxyphenyl)imidazo[1,5-a]pyridine (PubChem CID 11223578) has the molecular formula C27H27N3O and a molecular weight of 409.53 g/mol. Its IUPAC name is 3-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]-1-(3-methoxyphenyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]-1-(3-methoxyphenyl)imidazo[1,5-a]pyridine
PubChem CID11223578
Molecular FormulaC27H27N3O
Molecular Weight409.53 g/mol
Exact Mass409.22
IUPAC Name3-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]-1-(3-methoxyphenyl)imidazo[1,5-a]pyridine
SMILESCOc1cccc(-c2nc(C3CCN(C4Cc5ccccc5C4)C3)n3ccccc23)c1
InChIInChI=1S/C27H27N3O/c1-31-24-10-6-9-21(17-24)26-25-11-4-5-13-30(25)27(28-26)22-12-14-29(18-22)23-15-19-7-2-3-8-20(19)16-23/h2-11,13,17,22-23H,12,14-16,18H2,1H3
InChIKeyXBBUINKURHNIKT-UHFFFAOYSA-N
XLogP4.97
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]-1-(3-methoxyphenyl)imidazo[1,5-a]pyridine?
The IUPAC name of 3-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]-1-(3-methoxyphenyl)imidazo[1,5-a]pyridine (CID 11223578) is 3-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]-1-(3-methoxyphenyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 3-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]-1-(3-methoxyphenyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 3-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]-1-(3-methoxyphenyl)imidazo[1,5-a]pyridine is COc1cccc(-c2nc(C3CCN(C4Cc5ccccc5C4)C3)n3ccccc23)c1.
What is the InChIKey of 3-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]-1-(3-methoxyphenyl)imidazo[1,5-a]pyridine?
The InChIKey is XBBUINKURHNIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O/c1-31-24-10-6-9-21(17-24)26-25-11-4-5-13-30(25)27(28-26)22-12-14-29(18-22)23-15-19-7-2-3-8-20(19)16-23/h2-11,13,17,22-23H,12,14-16,18H2,1H3.
What are the key properties of 3-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]-1-(3-methoxyphenyl)imidazo[1,5-a]pyridine?
3-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]-1-(3-methoxyphenyl)imidazo[1,5-a]pyridine has a molecular weight of 409.53 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]-1-(3-methoxyphenyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 11223578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).