N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carboxamide

C23H26N4O3 — CID 137367120

IUPACN-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carboxamide
SMILESCc1cn2cccc(C(=O)Nc3cc4c(cc3N3CCOCC3)OC(C)(C)C4)c2n1
InChIInChI=1S/C23H26N4O3/c1-15-14-27-6-4-5-17(21(27)24-15)22(28)25-18-11-16-13-23(2,3)30-20(16)12-19(18)26-7-9-29-10-8-26/h4-6,11-12,14H,7-10,13H2,1-3H3,(H,25,28)
InChIKeyRELKMQIVMUSIFB-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.45
Rot. Bonds3

About N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carboxamide

N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 137367120) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carboxamide
PubChem CID137367120
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carboxamide
SMILESCc1cn2cccc(C(=O)Nc3cc4c(cc3N3CCOCC3)OC(C)(C)C4)c2n1
InChIInChI=1S/C23H26N4O3/c1-15-14-27-6-4-5-17(21(27)24-15)22(28)25-18-11-16-13-23(2,3)30-20(16)12-19(18)26-7-9-29-10-8-26/h4-6,11-12,14H,7-10,13H2,1-3H3,(H,25,28)
InChIKeyRELKMQIVMUSIFB-UHFFFAOYSA-N
XLogP3.45
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carboxamide (CID 137367120) is N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carboxamide is Cc1cn2cccc(C(=O)Nc3cc4c(cc3N3CCOCC3)OC(C)(C)C4)c2n1.
What is the InChIKey of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is RELKMQIVMUSIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-15-14-27-6-4-5-17(21(27)24-15)22(28)25-18-11-16-13-23(2,3)30-20(16)12-19(18)26-7-9-29-10-8-26/h4-6,11-12,14H,7-10,13H2,1-3H3,(H,25,28).
What are the key properties of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carboxamide?
N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 137367120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).