2-[2-(4-chlorophenyl)-8-(methylamino)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide

C22H27ClN4O — CID 10787073

IUPAC2-[2-(4-chlorophenyl)-8-(methylamino)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(NC)cccn12
InChIInChI=1S/C22H27ClN4O/c1-4-12-26(13-5-2)20(28)15-19-21(16-8-10-17(23)11-9-16)25-22-18(24-3)7-6-14-27(19)22/h6-11,14,24H,4-5,12-13,15H2,1-3H3
InChIKeyCYZWFVRYWHORJS-UHFFFAOYSA-N
MW398.94 g/mol
LogP4.89
Rot. Bonds8

About 2-[2-(4-chlorophenyl)-8-(methylamino)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide

2-[2-(4-chlorophenyl)-8-(methylamino)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide (PubChem CID 10787073) has the molecular formula C22H27ClN4O and a molecular weight of 398.94 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-8-(methylamino)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-8-(methylamino)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
PubChem CID10787073
Molecular FormulaC22H27ClN4O
Molecular Weight398.94 g/mol
Exact Mass398.19
IUPAC Name2-[2-(4-chlorophenyl)-8-(methylamino)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(NC)cccn12
InChIInChI=1S/C22H27ClN4O/c1-4-12-26(13-5-2)20(28)15-19-21(16-8-10-17(23)11-9-16)25-22-18(24-3)7-6-14-27(19)22/h6-11,14,24H,4-5,12-13,15H2,1-3H3
InChIKeyCYZWFVRYWHORJS-UHFFFAOYSA-N
XLogP4.89
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-8-(methylamino)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-8-(methylamino)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide (CID 10787073) is 2-[2-(4-chlorophenyl)-8-(methylamino)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-8-(methylamino)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-8-(methylamino)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(NC)cccn12.
What is the InChIKey of 2-[2-(4-chlorophenyl)-8-(methylamino)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide?
The InChIKey is CYZWFVRYWHORJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O/c1-4-12-26(13-5-2)20(28)15-19-21(16-8-10-17(23)11-9-16)25-22-18(24-3)7-6-14-27(19)22/h6-11,14,24H,4-5,12-13,15H2,1-3H3.
What are the key properties of 2-[2-(4-chlorophenyl)-8-(methylamino)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide?
2-[2-(4-chlorophenyl)-8-(methylamino)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide has a molecular weight of 398.94 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-8-(methylamino)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 10787073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).