2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide

C25H33N5O3 — CID 46944210

IUPAC2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCN3CCOCC3)cn2c1N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C25H33N5O3/c1-4-22-25(28(2)17-19-5-8-21(32-3)9-6-19)30-18-20(7-10-23(30)27-22)24(31)26-11-12-29-13-15-33-16-14-29/h5-10,18H,4,11-17H2,1-3H3,(H,26,31)
InChIKeyJDTVPABUSBIKBX-UHFFFAOYSA-N
MW451.57 g/mol
LogP2.60
Rot. Bonds9

About 2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide

2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 46944210) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID46944210
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC Name2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCN3CCOCC3)cn2c1N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C25H33N5O3/c1-4-22-25(28(2)17-19-5-8-21(32-3)9-6-19)30-18-20(7-10-23(30)27-22)24(31)26-11-12-29-13-15-33-16-14-29/h5-10,18H,4,11-17H2,1-3H3,(H,26,31)
InChIKeyJDTVPABUSBIKBX-UHFFFAOYSA-N
XLogP2.60
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide (CID 46944210) is 2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide is CCc1nc2ccc(C(=O)NCCN3CCOCC3)cn2c1N(C)Cc1ccc(OC)cc1.
What is the InChIKey of 2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is JDTVPABUSBIKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-4-22-25(28(2)17-19-5-8-21(32-3)9-6-19)30-18-20(7-10-23(30)27-22)24(31)26-11-12-29-13-15-33-16-14-29/h5-10,18H,4,11-17H2,1-3H3,(H,26,31).
What are the key properties of 2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide?
2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 46944210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).