2,3-dihydro-1H-inden-5-yl-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone

C22H23N3O — CID 175652282

IUPAC2,3-dihydro-1H-inden-5-yl-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone
SMILESCn1ccc2ccnc(CC3CN(C(=O)c4ccc5c(c4)CCC5)C3)c21
InChIInChI=1S/C22H23N3O/c1-24-10-8-17-7-9-23-20(21(17)24)11-15-13-25(14-15)22(26)19-6-5-16-3-2-4-18(16)12-19/h5-10,12,15H,2-4,11,13-14H2,1H3
InChIKeyUBMMUWZZZZMILH-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.38
Rot. Bonds3

About 2,3-dihydro-1H-inden-5-yl-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone

2,3-dihydro-1H-inden-5-yl-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone (PubChem CID 175652282) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone
PubChem CID175652282
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name2,3-dihydro-1H-inden-5-yl-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone
SMILESCn1ccc2ccnc(CC3CN(C(=O)c4ccc5c(c4)CCC5)C3)c21
InChIInChI=1S/C22H23N3O/c1-24-10-8-17-7-9-23-20(21(17)24)11-15-13-25(14-15)22(26)19-6-5-16-3-2-4-18(16)12-19/h5-10,12,15H,2-4,11,13-14H2,1H3
InChIKeyUBMMUWZZZZMILH-UHFFFAOYSA-N
XLogP3.38
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone (CID 175652282) is 2,3-dihydro-1H-inden-5-yl-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone is Cn1ccc2ccnc(CC3CN(C(=O)c4ccc5c(c4)CCC5)C3)c21.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone?
The InChIKey is UBMMUWZZZZMILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-24-10-8-17-7-9-23-20(21(17)24)11-15-13-25(14-15)22(26)19-6-5-16-3-2-4-18(16)12-19/h5-10,12,15H,2-4,11,13-14H2,1H3.
What are the key properties of 2,3-dihydro-1H-inden-5-yl-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone?
2,3-dihydro-1H-inden-5-yl-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone has a molecular weight of 345.45 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl-[3-[(1-methylpyrrolo[2,3-c]pyridin-7-yl)methyl]azetidin-1-yl]methanone is sourced from PubChem (CID 175652282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).