7-chloro-2-ethyl-N-[[4-(1H-pyrrol-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C21H19ClN4O — CID 67402073

IUPAC7-chloro-2-ethyl-N-[[4-(1H-pyrrol-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(-c2ccc[nH]2)cc1
InChIInChI=1S/C21H19ClN4O/c1-2-17-20(26-11-9-16(22)12-19(26)25-17)21(27)24-13-14-5-7-15(8-6-14)18-4-3-10-23-18/h3-12,23H,2,13H2,1H3,(H,24,27)
InChIKeyUIJDSIFYFRJZSY-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.48
Rot. Bonds5

About 7-chloro-2-ethyl-N-[[4-(1H-pyrrol-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

7-chloro-2-ethyl-N-[[4-(1H-pyrrol-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67402073) has the molecular formula C21H19ClN4O and a molecular weight of 378.86 g/mol. Its IUPAC name is 7-chloro-2-ethyl-N-[[4-(1H-pyrrol-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-chloro-2-ethyl-N-[[4-(1H-pyrrol-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67402073
Molecular FormulaC21H19ClN4O
Molecular Weight378.86 g/mol
Exact Mass378.12
IUPAC Name7-chloro-2-ethyl-N-[[4-(1H-pyrrol-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(-c2ccc[nH]2)cc1
InChIInChI=1S/C21H19ClN4O/c1-2-17-20(26-11-9-16(22)12-19(26)25-17)21(27)24-13-14-5-7-15(8-6-14)18-4-3-10-23-18/h3-12,23H,2,13H2,1H3,(H,24,27)
InChIKeyUIJDSIFYFRJZSY-UHFFFAOYSA-N
XLogP4.48
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-ethyl-N-[[4-(1H-pyrrol-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 7-chloro-2-ethyl-N-[[4-(1H-pyrrol-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 67402073) is 7-chloro-2-ethyl-N-[[4-(1H-pyrrol-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 7-chloro-2-ethyl-N-[[4-(1H-pyrrol-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 7-chloro-2-ethyl-N-[[4-(1H-pyrrol-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(-c2ccc[nH]2)cc1.
What is the InChIKey of 7-chloro-2-ethyl-N-[[4-(1H-pyrrol-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is UIJDSIFYFRJZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O/c1-2-17-20(26-11-9-16(22)12-19(26)25-17)21(27)24-13-14-5-7-15(8-6-14)18-4-3-10-23-18/h3-12,23H,2,13H2,1H3,(H,24,27).
What are the key properties of 7-chloro-2-ethyl-N-[[4-(1H-pyrrol-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
7-chloro-2-ethyl-N-[[4-(1H-pyrrol-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 378.86 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-ethyl-N-[[4-(1H-pyrrol-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67402073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).