6-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide

C22H23N5O2 — CID 118241111

IUPAC6-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2cc(-c3ccc4ncc(C(=O)NCCN5CCCC5)n4c3)ccc2o1
InChIInChI=1S/C22H23N5O2/c1-15-25-18-12-16(4-6-20(18)29-15)17-5-7-21-24-13-19(27(21)14-17)22(28)23-8-11-26-9-2-3-10-26/h4-7,12-14H,2-3,8-11H2,1H3,(H,23,28)
InChIKeyJJSMMMHMGLHKAM-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.28
Rot. Bonds5

About 6-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide

6-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118241111) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 6-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID118241111
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name6-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2cc(-c3ccc4ncc(C(=O)NCCN5CCCC5)n4c3)ccc2o1
InChIInChI=1S/C22H23N5O2/c1-15-25-18-12-16(4-6-20(18)29-15)17-5-7-21-24-13-19(27(21)14-17)22(28)23-8-11-26-9-2-3-10-26/h4-7,12-14H,2-3,8-11H2,1H3,(H,23,28)
InChIKeyJJSMMMHMGLHKAM-UHFFFAOYSA-N
XLogP3.28
TPSA75.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 118241111) is 6-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2cc(-c3ccc4ncc(C(=O)NCCN5CCCC5)n4c3)ccc2o1.
What is the InChIKey of 6-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is JJSMMMHMGLHKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-15-25-18-12-16(4-6-20(18)29-15)17-5-7-21-24-13-19(27(21)14-17)22(28)23-8-11-26-9-2-3-10-26/h4-7,12-14H,2-3,8-11H2,1H3,(H,23,28).
What are the key properties of 6-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide?
6-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-1,3-benzoxazol-5-yl)-N-(2-pyrrolidin-1-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118241111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).