7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-diethyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide

C25H30ClN5O2 — CID 134203633

IUPAC7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-diethyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide
SMILESCCN(CC)C(=O)N1C2COCC1CN(Cc1c(-c3ccc(Cl)cc3)nc3ccccn13)C2
InChIInChI=1S/C25H30ClN5O2/c1-3-29(4-2)25(32)31-20-13-28(14-21(31)17-33-16-20)15-22-24(18-8-10-19(26)11-9-18)27-23-7-5-6-12-30(22)23/h5-12,20-21H,3-4,13-17H2,1-2H3
InChIKeyQTUDHZTZMYMVOY-UHFFFAOYSA-N
MW468.00 g/mol
LogP4.00
Rot. Bonds5

About 7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-diethyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide

7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-diethyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide (PubChem CID 134203633) has the molecular formula C25H30ClN5O2 and a molecular weight of 468.00 g/mol. Its IUPAC name is 7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-diethyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide.

Molecular Properties

Compound Name7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-diethyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide
PubChem CID134203633
Molecular FormulaC25H30ClN5O2
Molecular Weight468.00 g/mol
Exact Mass467.21
IUPAC Name7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-diethyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide
SMILESCCN(CC)C(=O)N1C2COCC1CN(Cc1c(-c3ccc(Cl)cc3)nc3ccccn13)C2
InChIInChI=1S/C25H30ClN5O2/c1-3-29(4-2)25(32)31-20-13-28(14-21(31)17-33-16-20)15-22-24(18-8-10-19(26)11-9-18)27-23-7-5-6-12-30(22)23/h5-12,20-21H,3-4,13-17H2,1-2H3
InChIKeyQTUDHZTZMYMVOY-UHFFFAOYSA-N
XLogP4.00
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.00
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-diethyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide?
The IUPAC name of 7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-diethyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide (CID 134203633) is 7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-diethyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide.
What is the SMILES notation for 7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-diethyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide?
The canonical SMILES for 7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-diethyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide is CCN(CC)C(=O)N1C2COCC1CN(Cc1c(-c3ccc(Cl)cc3)nc3ccccn13)C2.
What is the InChIKey of 7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-diethyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide?
The InChIKey is QTUDHZTZMYMVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O2/c1-3-29(4-2)25(32)31-20-13-28(14-21(31)17-33-16-20)15-22-24(18-8-10-19(26)11-9-18)27-23-7-5-6-12-30(22)23/h5-12,20-21H,3-4,13-17H2,1-2H3.
What are the key properties of 7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-diethyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide?
7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-diethyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide has a molecular weight of 468.00 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-diethyl-3-oxa-7,9-diazabicyclo[3.3.1]nonane-9-carboxamide is sourced from PubChem (CID 134203633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).