2-[6,8-dichloro-2-(4-chloro-3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide

C21H21Cl3N4O3 — CID 25138874

IUPAC2-[6,8-dichloro-2-(4-chloro-3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C21H21Cl3N4O3/c1-3-7-26(8-4-2)19(29)11-18-20(13-5-6-15(23)17(9-13)28(30)31)25-21-16(24)10-14(22)12-27(18)21/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3
InChIKeyOBTFDJHQRGAUKQ-UHFFFAOYSA-N
MW483.78 g/mol
LogP6.06
Rot. Bonds8

About 2-[6,8-dichloro-2-(4-chloro-3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide

2-[6,8-dichloro-2-(4-chloro-3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide (PubChem CID 25138874) has the molecular formula C21H21Cl3N4O3 and a molecular weight of 483.78 g/mol. Its IUPAC name is 2-[6,8-dichloro-2-(4-chloro-3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[6,8-dichloro-2-(4-chloro-3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
PubChem CID25138874
Molecular FormulaC21H21Cl3N4O3
Molecular Weight483.78 g/mol
Exact Mass482.07
IUPAC Name2-[6,8-dichloro-2-(4-chloro-3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C21H21Cl3N4O3/c1-3-7-26(8-4-2)19(29)11-18-20(13-5-6-15(23)17(9-13)28(30)31)25-21-16(24)10-14(22)12-27(18)21/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3
InChIKeyOBTFDJHQRGAUKQ-UHFFFAOYSA-N
XLogP6.06
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.78
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6,8-dichloro-2-(4-chloro-3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[6,8-dichloro-2-(4-chloro-3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide (CID 25138874) is 2-[6,8-dichloro-2-(4-chloro-3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[6,8-dichloro-2-(4-chloro-3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[6,8-dichloro-2-(4-chloro-3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2c(Cl)cc(Cl)cn12.
What is the InChIKey of 2-[6,8-dichloro-2-(4-chloro-3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide?
The InChIKey is OBTFDJHQRGAUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl3N4O3/c1-3-7-26(8-4-2)19(29)11-18-20(13-5-6-15(23)17(9-13)28(30)31)25-21-16(24)10-14(22)12-27(18)21/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3.
What are the key properties of 2-[6,8-dichloro-2-(4-chloro-3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide?
2-[6,8-dichloro-2-(4-chloro-3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide has a molecular weight of 483.78 g/mol, XLogP of 6.06, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,8-dichloro-2-(4-chloro-3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 25138874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).