N-[[4-(4-tert-butylphenyl)phenyl]methyl]-7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide

C27H28ClN3O — CID 70675134

IUPACN-[[4-(4-tert-butylphenyl)phenyl]methyl]-7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C27H28ClN3O/c1-5-23-25(31-15-14-22(28)16-24(31)30-23)26(32)29-17-18-6-8-19(9-7-18)20-10-12-21(13-11-20)27(2,3)4/h6-16H,5,17H2,1-4H3,(H,29,32)
InChIKeyXQIDJWZFUBEAFD-UHFFFAOYSA-N
MW445.99 g/mol
LogP6.44
Rot. Bonds5

About N-[[4-(4-tert-butylphenyl)phenyl]methyl]-7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide

N-[[4-(4-tert-butylphenyl)phenyl]methyl]-7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 70675134) has the molecular formula C27H28ClN3O and a molecular weight of 445.99 g/mol. Its IUPAC name is N-[[4-(4-tert-butylphenyl)phenyl]methyl]-7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-tert-butylphenyl)phenyl]methyl]-7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID70675134
Molecular FormulaC27H28ClN3O
Molecular Weight445.99 g/mol
Exact Mass445.19
IUPAC NameN-[[4-(4-tert-butylphenyl)phenyl]methyl]-7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C27H28ClN3O/c1-5-23-25(31-15-14-22(28)16-24(31)30-23)26(32)29-17-18-6-8-19(9-7-18)20-10-12-21(13-11-20)27(2,3)4/h6-16H,5,17H2,1-4H3,(H,29,32)
InChIKeyXQIDJWZFUBEAFD-UHFFFAOYSA-N
XLogP6.44
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.99
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-tert-butylphenyl)phenyl]methyl]-7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[[4-(4-tert-butylphenyl)phenyl]methyl]-7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide (CID 70675134) is N-[[4-(4-tert-butylphenyl)phenyl]methyl]-7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(4-tert-butylphenyl)phenyl]methyl]-7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(4-tert-butylphenyl)phenyl]methyl]-7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(-c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[[4-(4-tert-butylphenyl)phenyl]methyl]-7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is XQIDJWZFUBEAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O/c1-5-23-25(31-15-14-22(28)16-24(31)30-23)26(32)29-17-18-6-8-19(9-7-18)20-10-12-21(13-11-20)27(2,3)4/h6-16H,5,17H2,1-4H3,(H,29,32).
What are the key properties of N-[[4-(4-tert-butylphenyl)phenyl]methyl]-7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide?
N-[[4-(4-tert-butylphenyl)phenyl]methyl]-7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 445.99 g/mol, XLogP of 6.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-tert-butylphenyl)phenyl]methyl]-7-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 70675134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).