N-[3-[1-amino-3-(furan-2-yl)-1-oxopropan-2-yl]-2-methylimidazo[1,2-a]pyridin-8-yl]-2,6-dichlorobenzamide

C22H18Cl2N4O3 — CID 67768136

IUPACN-[3-[1-amino-3-(furan-2-yl)-1-oxopropan-2-yl]-2-methylimidazo[1,2-a]pyridin-8-yl]-2,6-dichlorobenzamide
SMILESCc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn2c1C(Cc1ccco1)C(N)=O
InChIInChI=1S/C22H18Cl2N4O3/c1-12-19(14(20(25)29)11-13-5-4-10-31-13)28-9-3-8-17(21(28)26-12)27-22(30)18-15(23)6-2-7-16(18)24/h2-10,14H,11H2,1H3,(H2,25,29)(H,27,30)
InChIKeyHFHIRCJLAUFSNC-UHFFFAOYSA-N
MW457.32 g/mol
LogP4.61
Rot. Bonds6

About N-[3-[1-amino-3-(furan-2-yl)-1-oxopropan-2-yl]-2-methylimidazo[1,2-a]pyridin-8-yl]-2,6-dichlorobenzamide

N-[3-[1-amino-3-(furan-2-yl)-1-oxopropan-2-yl]-2-methylimidazo[1,2-a]pyridin-8-yl]-2,6-dichlorobenzamide (PubChem CID 67768136) has the molecular formula C22H18Cl2N4O3 and a molecular weight of 457.32 g/mol. Its IUPAC name is N-[3-[1-amino-3-(furan-2-yl)-1-oxopropan-2-yl]-2-methylimidazo[1,2-a]pyridin-8-yl]-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-[3-[1-amino-3-(furan-2-yl)-1-oxopropan-2-yl]-2-methylimidazo[1,2-a]pyridin-8-yl]-2,6-dichlorobenzamide
PubChem CID67768136
Molecular FormulaC22H18Cl2N4O3
Molecular Weight457.32 g/mol
Exact Mass456.08
IUPAC NameN-[3-[1-amino-3-(furan-2-yl)-1-oxopropan-2-yl]-2-methylimidazo[1,2-a]pyridin-8-yl]-2,6-dichlorobenzamide
SMILESCc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn2c1C(Cc1ccco1)C(N)=O
InChIInChI=1S/C22H18Cl2N4O3/c1-12-19(14(20(25)29)11-13-5-4-10-31-13)28-9-3-8-17(21(28)26-12)27-22(30)18-15(23)6-2-7-16(18)24/h2-10,14H,11H2,1H3,(H2,25,29)(H,27,30)
InChIKeyHFHIRCJLAUFSNC-UHFFFAOYSA-N
XLogP4.61
TPSA102.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.32
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-amino-3-(furan-2-yl)-1-oxopropan-2-yl]-2-methylimidazo[1,2-a]pyridin-8-yl]-2,6-dichlorobenzamide?
The IUPAC name of N-[3-[1-amino-3-(furan-2-yl)-1-oxopropan-2-yl]-2-methylimidazo[1,2-a]pyridin-8-yl]-2,6-dichlorobenzamide (CID 67768136) is N-[3-[1-amino-3-(furan-2-yl)-1-oxopropan-2-yl]-2-methylimidazo[1,2-a]pyridin-8-yl]-2,6-dichlorobenzamide.
What is the SMILES notation for N-[3-[1-amino-3-(furan-2-yl)-1-oxopropan-2-yl]-2-methylimidazo[1,2-a]pyridin-8-yl]-2,6-dichlorobenzamide?
The canonical SMILES for N-[3-[1-amino-3-(furan-2-yl)-1-oxopropan-2-yl]-2-methylimidazo[1,2-a]pyridin-8-yl]-2,6-dichlorobenzamide is Cc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn2c1C(Cc1ccco1)C(N)=O.
What is the InChIKey of N-[3-[1-amino-3-(furan-2-yl)-1-oxopropan-2-yl]-2-methylimidazo[1,2-a]pyridin-8-yl]-2,6-dichlorobenzamide?
The InChIKey is HFHIRCJLAUFSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O3/c1-12-19(14(20(25)29)11-13-5-4-10-31-13)28-9-3-8-17(21(28)26-12)27-22(30)18-15(23)6-2-7-16(18)24/h2-10,14H,11H2,1H3,(H2,25,29)(H,27,30).
What are the key properties of N-[3-[1-amino-3-(furan-2-yl)-1-oxopropan-2-yl]-2-methylimidazo[1,2-a]pyridin-8-yl]-2,6-dichlorobenzamide?
N-[3-[1-amino-3-(furan-2-yl)-1-oxopropan-2-yl]-2-methylimidazo[1,2-a]pyridin-8-yl]-2,6-dichlorobenzamide has a molecular weight of 457.32 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-amino-3-(furan-2-yl)-1-oxopropan-2-yl]-2-methylimidazo[1,2-a]pyridin-8-yl]-2,6-dichlorobenzamide is sourced from PubChem (CID 67768136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).