2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide;hydrochloride

C22H23Cl3N4O3 — CID 67767652

IUPAC2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide;hydrochloride
SMILESCc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn2c1CC(=O)NCC1CCCO1.Cl
InChIInChI=1S/C22H22Cl2N4O3.ClH/c1-13-18(11-19(29)25-12-14-5-4-10-31-14)28-9-3-8-17(21(28)26-13)27-22(30)20-15(23)6-2-7-16(20)24;/h2-3,6-9,14H,4-5,10-12H2,1H3,(H,25,29)(H,27,30);1H
InChIKeyFTNICWHYHCVQHQ-UHFFFAOYSA-N
MW497.81 g/mol
LogP4.46
Rot. Bonds6

About 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide;hydrochloride

2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide;hydrochloride (PubChem CID 67767652) has the molecular formula C22H23Cl3N4O3 and a molecular weight of 497.81 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide;hydrochloride
PubChem CID67767652
Molecular FormulaC22H23Cl3N4O3
Molecular Weight497.81 g/mol
Exact Mass496.08
IUPAC Name2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide;hydrochloride
SMILESCc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn2c1CC(=O)NCC1CCCO1.Cl
InChIInChI=1S/C22H22Cl2N4O3.ClH/c1-13-18(11-19(29)25-12-14-5-4-10-31-14)28-9-3-8-17(21(28)26-13)27-22(30)20-15(23)6-2-7-16(20)24;/h2-3,6-9,14H,4-5,10-12H2,1H3,(H,25,29)(H,27,30);1H
InChIKeyFTNICWHYHCVQHQ-UHFFFAOYSA-N
XLogP4.46
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.81
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide;hydrochloride?
The IUPAC name of 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide;hydrochloride (CID 67767652) is 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide;hydrochloride.
What is the SMILES notation for 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide;hydrochloride?
The canonical SMILES for 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide;hydrochloride is Cc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn2c1CC(=O)NCC1CCCO1.Cl.
What is the InChIKey of 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide;hydrochloride?
The InChIKey is FTNICWHYHCVQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O3.ClH/c1-13-18(11-19(29)25-12-14-5-4-10-31-14)28-9-3-8-17(21(28)26-13)27-22(30)20-15(23)6-2-7-16(20)24;/h2-3,6-9,14H,4-5,10-12H2,1H3,(H,25,29)(H,27,30);1H.
What are the key properties of 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide;hydrochloride?
2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide;hydrochloride has a molecular weight of 497.81 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide;hydrochloride is sourced from PubChem (CID 67767652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).