7-chloro-2-ethyl-N-[[4-(4,5,6,7-tetrahydroisoindol-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C25H25ClN4O — CID 53467342

IUPAC7-chloro-2-ethyl-N-[[4-(4,5,6,7-tetrahydroisoindol-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(-n2cc3c(c2)CCCC3)cc1
InChIInChI=1S/C25H25ClN4O/c1-2-22-24(30-12-11-20(26)13-23(30)28-22)25(31)27-14-17-7-9-21(10-8-17)29-15-18-5-3-4-6-19(18)16-29/h7-13,15-16H,2-6,14H2,1H3,(H,27,31)
InChIKeyPJCAXBFNRPWCAU-UHFFFAOYSA-N
MW432.96 g/mol
LogP5.15
Rot. Bonds5

About 7-chloro-2-ethyl-N-[[4-(4,5,6,7-tetrahydroisoindol-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

7-chloro-2-ethyl-N-[[4-(4,5,6,7-tetrahydroisoindol-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 53467342) has the molecular formula C25H25ClN4O and a molecular weight of 432.96 g/mol. Its IUPAC name is 7-chloro-2-ethyl-N-[[4-(4,5,6,7-tetrahydroisoindol-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-chloro-2-ethyl-N-[[4-(4,5,6,7-tetrahydroisoindol-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID53467342
Molecular FormulaC25H25ClN4O
Molecular Weight432.96 g/mol
Exact Mass432.17
IUPAC Name7-chloro-2-ethyl-N-[[4-(4,5,6,7-tetrahydroisoindol-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(-n2cc3c(c2)CCCC3)cc1
InChIInChI=1S/C25H25ClN4O/c1-2-22-24(30-12-11-20(26)13-23(30)28-22)25(31)27-14-17-7-9-21(10-8-17)29-15-18-5-3-4-6-19(18)16-29/h7-13,15-16H,2-6,14H2,1H3,(H,27,31)
InChIKeyPJCAXBFNRPWCAU-UHFFFAOYSA-N
XLogP5.15
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.96
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-ethyl-N-[[4-(4,5,6,7-tetrahydroisoindol-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 7-chloro-2-ethyl-N-[[4-(4,5,6,7-tetrahydroisoindol-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 53467342) is 7-chloro-2-ethyl-N-[[4-(4,5,6,7-tetrahydroisoindol-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 7-chloro-2-ethyl-N-[[4-(4,5,6,7-tetrahydroisoindol-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 7-chloro-2-ethyl-N-[[4-(4,5,6,7-tetrahydroisoindol-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(-n2cc3c(c2)CCCC3)cc1.
What is the InChIKey of 7-chloro-2-ethyl-N-[[4-(4,5,6,7-tetrahydroisoindol-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is PJCAXBFNRPWCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O/c1-2-22-24(30-12-11-20(26)13-23(30)28-22)25(31)27-14-17-7-9-21(10-8-17)29-15-18-5-3-4-6-19(18)16-29/h7-13,15-16H,2-6,14H2,1H3,(H,27,31).
What are the key properties of 7-chloro-2-ethyl-N-[[4-(4,5,6,7-tetrahydroisoindol-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
7-chloro-2-ethyl-N-[[4-(4,5,6,7-tetrahydroisoindol-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 432.96 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-ethyl-N-[[4-(4,5,6,7-tetrahydroisoindol-2-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 53467342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).