8-(3,4-dihydro-1H-isochromen-4-ylamino)-N-(2-hydroxyethyl)-N,2,3-trimethylimidazo[1,2-a]pyridine-6-carboxamide

C22H26N4O3 — CID 57432317

IUPAC8-(3,4-dihydro-1H-isochromen-4-ylamino)-N-(2-hydroxyethyl)-N,2,3-trimethylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1nc2c(NC3COCc4ccccc43)cc(C(=O)N(C)CCO)cn2c1C
InChIInChI=1S/C22H26N4O3/c1-14-15(2)26-11-17(22(28)25(3)8-9-27)10-19(21(26)23-14)24-20-13-29-12-16-6-4-5-7-18(16)20/h4-7,10-11,20,24,27H,8-9,12-13H2,1-3H3
InChIKeyWLOPDKPXPHKDCD-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.70
Rot. Bonds5

About 8-(3,4-dihydro-1H-isochromen-4-ylamino)-N-(2-hydroxyethyl)-N,2,3-trimethylimidazo[1,2-a]pyridine-6-carboxamide

8-(3,4-dihydro-1H-isochromen-4-ylamino)-N-(2-hydroxyethyl)-N,2,3-trimethylimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 57432317) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 8-(3,4-dihydro-1H-isochromen-4-ylamino)-N-(2-hydroxyethyl)-N,2,3-trimethylimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name8-(3,4-dihydro-1H-isochromen-4-ylamino)-N-(2-hydroxyethyl)-N,2,3-trimethylimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID57432317
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name8-(3,4-dihydro-1H-isochromen-4-ylamino)-N-(2-hydroxyethyl)-N,2,3-trimethylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1nc2c(NC3COCc4ccccc43)cc(C(=O)N(C)CCO)cn2c1C
InChIInChI=1S/C22H26N4O3/c1-14-15(2)26-11-17(22(28)25(3)8-9-27)10-19(21(26)23-14)24-20-13-29-12-16-6-4-5-7-18(16)20/h4-7,10-11,20,24,27H,8-9,12-13H2,1-3H3
InChIKeyWLOPDKPXPHKDCD-UHFFFAOYSA-N
XLogP2.70
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-(3,4-dihydro-1H-isochromen-4-ylamino)-N-(2-hydroxyethyl)-N,2,3-trimethylimidazo[1,2-a]pyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dihydro-1H-isochromen-4-ylamino)-N-(2-hydroxyethyl)-N,2,3-trimethylimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 8-(3,4-dihydro-1H-isochromen-4-ylamino)-N-(2-hydroxyethyl)-N,2,3-trimethylimidazo[1,2-a]pyridine-6-carboxamide (CID 57432317) is 8-(3,4-dihydro-1H-isochromen-4-ylamino)-N-(2-hydroxyethyl)-N,2,3-trimethylimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 8-(3,4-dihydro-1H-isochromen-4-ylamino)-N-(2-hydroxyethyl)-N,2,3-trimethylimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 8-(3,4-dihydro-1H-isochromen-4-ylamino)-N-(2-hydroxyethyl)-N,2,3-trimethylimidazo[1,2-a]pyridine-6-carboxamide is Cc1nc2c(NC3COCc4ccccc43)cc(C(=O)N(C)CCO)cn2c1C.
What is the InChIKey of 8-(3,4-dihydro-1H-isochromen-4-ylamino)-N-(2-hydroxyethyl)-N,2,3-trimethylimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is WLOPDKPXPHKDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-14-15(2)26-11-17(22(28)25(3)8-9-27)10-19(21(26)23-14)24-20-13-29-12-16-6-4-5-7-18(16)20/h4-7,10-11,20,24,27H,8-9,12-13H2,1-3H3.
What are the key properties of 8-(3,4-dihydro-1H-isochromen-4-ylamino)-N-(2-hydroxyethyl)-N,2,3-trimethylimidazo[1,2-a]pyridine-6-carboxamide?
8-(3,4-dihydro-1H-isochromen-4-ylamino)-N-(2-hydroxyethyl)-N,2,3-trimethylimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dihydro-1H-isochromen-4-ylamino)-N-(2-hydroxyethyl)-N,2,3-trimethylimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 57432317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).