[3-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone

C21H29N5O — CID 56862631

IUPAC[3-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCN1[C@H]2CC[C@@H]1CN(Cc1c(C(=O)N3CCCC3)nc3ccccn13)CC2
InChIInChI=1S/C21H29N5O/c1-23-16-7-8-17(23)14-24(13-9-16)15-18-20(21(27)25-10-4-5-11-25)22-19-6-2-3-12-26(18)19/h2-3,6,12,16-17H,4-5,7-11,13-15H2,1H3/t16-,17+/m0/s1
InChIKeyMANBUINRDOVJBP-DLBZAZTESA-N
MW367.50 g/mol
LogP2.24
Rot. Bonds3

About [3-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone

[3-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 56862631) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is [3-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID56862631
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name[3-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCN1[C@H]2CC[C@@H]1CN(Cc1c(C(=O)N3CCCC3)nc3ccccn13)CC2
InChIInChI=1S/C21H29N5O/c1-23-16-7-8-17(23)14-24(13-9-16)15-18-20(21(27)25-10-4-5-11-25)22-19-6-2-3-12-26(18)19/h2-3,6,12,16-17H,4-5,7-11,13-15H2,1H3/t16-,17+/m0/s1
InChIKeyMANBUINRDOVJBP-DLBZAZTESA-N
XLogP2.24
TPSA44.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone (CID 56862631) is [3-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone is CN1[C@H]2CC[C@@H]1CN(Cc1c(C(=O)N3CCCC3)nc3ccccn13)CC2.
What is the InChIKey of [3-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is MANBUINRDOVJBP-DLBZAZTESA-N. The full InChI is InChI=1S/C21H29N5O/c1-23-16-7-8-17(23)14-24(13-9-16)15-18-20(21(27)25-10-4-5-11-25)22-19-6-2-3-12-26(18)19/h2-3,6,12,16-17H,4-5,7-11,13-15H2,1H3/t16-,17+/m0/s1.
What are the key properties of [3-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone?
[3-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 367.50 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56862631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).