6-N-(2-aminoethyl)-2-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2,6-dicarboxamide

C23H32N6O3 — CID 138663594

IUPAC6-N-(2-aminoethyl)-2-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2,6-dicarboxamide
SMILESNCCNC(=O)C1CCc2nc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)cn2C1
InChIInChI=1S/C23H32N6O3/c24-8-9-25-22(31)18-5-6-21-27-20(15-29(21)13-18)23(32)26-11-19(30)14-28-10-7-16-3-1-2-4-17(16)12-28/h1-4,15,18-19,30H,5-14,24H2,(H,25,31)(H,26,32)/t18?,19-/m0/s1
InChIKeyBWFHTCNTSKIVMD-GGYWPGCISA-N
MW440.55 g/mol
LogP-0.33
Rot. Bonds8

About 6-N-(2-aminoethyl)-2-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2,6-dicarboxamide

6-N-(2-aminoethyl)-2-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2,6-dicarboxamide (PubChem CID 138663594) has the molecular formula C23H32N6O3 and a molecular weight of 440.55 g/mol. Its IUPAC name is 6-N-(2-aminoethyl)-2-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(2-aminoethyl)-2-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2,6-dicarboxamide
PubChem CID138663594
Molecular FormulaC23H32N6O3
Molecular Weight440.55 g/mol
Exact Mass440.25
IUPAC Name6-N-(2-aminoethyl)-2-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2,6-dicarboxamide
SMILESNCCNC(=O)C1CCc2nc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)cn2C1
InChIInChI=1S/C23H32N6O3/c24-8-9-25-22(31)18-5-6-21-27-20(15-29(21)13-18)23(32)26-11-19(30)14-28-10-7-16-3-1-2-4-17(16)12-28/h1-4,15,18-19,30H,5-14,24H2,(H,25,31)(H,26,32)/t18?,19-/m0/s1
InChIKeyBWFHTCNTSKIVMD-GGYWPGCISA-N
XLogP-0.33
TPSA125.51 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-N-(2-aminoethyl)-2-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2,6-dicarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

6-cyclopropyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 138634545
6-(cyclobutanecarbonylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 138634502
(6S)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 138634387
(6S)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 138634463
6-[(4-cyanobenzoyl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 138664131
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
CID 138634296
1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide;7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylic acid;iodide
CID 163749776
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,2-oxazole-3-carboxamide
CID 97237895
6-(difluoromethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 138634515
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 138634556
6-bromo-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 138634378
N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-propan-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 138664084

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-aminoethyl)-2-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-(2-aminoethyl)-2-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2,6-dicarboxamide (CID 138663594) is 6-N-(2-aminoethyl)-2-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(2-aminoethyl)-2-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-(2-aminoethyl)-2-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2,6-dicarboxamide is NCCNC(=O)C1CCc2nc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)cn2C1.
What is the InChIKey of 6-N-(2-aminoethyl)-2-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2,6-dicarboxamide?
The InChIKey is BWFHTCNTSKIVMD-GGYWPGCISA-N. The full InChI is InChI=1S/C23H32N6O3/c24-8-9-25-22(31)18-5-6-21-27-20(15-29(21)13-18)23(32)26-11-19(30)14-28-10-7-16-3-1-2-4-17(16)12-28/h1-4,15,18-19,30H,5-14,24H2,(H,25,31)(H,26,32)/t18?,19-/m0/s1.
What are the key properties of 6-N-(2-aminoethyl)-2-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2,6-dicarboxamide?
6-N-(2-aminoethyl)-2-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2,6-dicarboxamide has a molecular weight of 440.55 g/mol, XLogP of -0.33, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-aminoethyl)-2-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 138663594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).