3,4-dihydro-1H-isoquinolin-2-yl-[4-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)morpholin-2-yl]methanone

C23H24N4O3 — CID 110246696

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[4-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)morpholin-2-yl]methanone
SMILESCc1cccn2cc(C(=O)N3CCOC(C(=O)N4CCc5ccccc5C4)C3)nc12
InChIInChI=1S/C23H24N4O3/c1-16-5-4-9-25-14-19(24-21(16)25)22(28)27-11-12-30-20(15-27)23(29)26-10-8-17-6-2-3-7-18(17)13-26/h2-7,9,14,20H,8,10-13,15H2,1H3
InChIKeyVJRADTLZIJUAPZ-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.07
Rot. Bonds2

About 3,4-dihydro-1H-isoquinolin-2-yl-[4-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)morpholin-2-yl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[4-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)morpholin-2-yl]methanone (PubChem CID 110246696) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[4-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)morpholin-2-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[4-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)morpholin-2-yl]methanone
PubChem CID110246696
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[4-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)morpholin-2-yl]methanone
SMILESCc1cccn2cc(C(=O)N3CCOC(C(=O)N4CCc5ccccc5C4)C3)nc12
InChIInChI=1S/C23H24N4O3/c1-16-5-4-9-25-14-19(24-21(16)25)22(28)27-11-12-30-20(15-27)23(29)26-10-8-17-6-2-3-7-18(17)13-26/h2-7,9,14,20H,8,10-13,15H2,1H3
InChIKeyVJRADTLZIJUAPZ-UHFFFAOYSA-N
XLogP2.07
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-[(2S)-4-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)morpholin-2-yl]methanone
CID 92632850
3,4-dihydro-1H-isoquinolin-2-yl-[(2S)-4-(3-ethylimidazole-4-carbonyl)morpholin-2-yl]methanone
CID 92635376
3,4-dihydro-1H-isoquinolin-2-yl-[4-(4-propylthiadiazole-5-carbonyl)morpholin-2-yl]methanone
CID 110246708
(8-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95709770
[4-(2,1,3-benzothiadiazole-5-carbonyl)morpholin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110246660
[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 125007104
(8-methylimidazo[1,2-a]pyridin-2-yl)-piperazin-1-ylmethanone
CID 39162238
3,4-dihydro-1H-isoquinolin-2-yl-[4-(3-methylbutyl)morpholin-2-yl]methanone
CID 172881377
[2-[6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 110093050
(3R)-N-cyclopentyl-1-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-3-carboxamide
CID 92635367
(8-methylimidazo[1,2-a]pyridin-2-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95222377
(8-methylimidazo[1,2-a]pyridin-2-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 138806654

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[4-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)morpholin-2-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[4-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)morpholin-2-yl]methanone (CID 110246696) is 3,4-dihydro-1H-isoquinolin-2-yl-[4-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)morpholin-2-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[4-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)morpholin-2-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[4-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)morpholin-2-yl]methanone is Cc1cccn2cc(C(=O)N3CCOC(C(=O)N4CCc5ccccc5C4)C3)nc12.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[4-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)morpholin-2-yl]methanone?
The InChIKey is VJRADTLZIJUAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-16-5-4-9-25-14-19(24-21(16)25)22(28)27-11-12-30-20(15-27)23(29)26-10-8-17-6-2-3-7-18(17)13-26/h2-7,9,14,20H,8,10-13,15H2,1H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[4-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)morpholin-2-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[4-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)morpholin-2-yl]methanone has a molecular weight of 404.47 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[4-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)morpholin-2-yl]methanone is sourced from PubChem (CID 110246696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).