(3-methyl-1,2-oxazol-5-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone

C23H21N5O2 — CID 131671323

IUPAC(3-methyl-1,2-oxazol-5-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCc1cc(C(=O)N2Cc3ccccc3C(c3nccn3Cc3cccnc3)C2)on1
InChIInChI=1S/C23H21N5O2/c1-16-11-21(30-26-16)23(29)28-14-18-6-2-3-7-19(18)20(15-28)22-25-9-10-27(22)13-17-5-4-8-24-12-17/h2-12,20H,13-15H2,1H3
InChIKeyIZPAUEAKPFZXRC-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.41
Rot. Bonds4

About (3-methyl-1,2-oxazol-5-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone

(3-methyl-1,2-oxazol-5-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone (PubChem CID 131671323) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
PubChem CID131671323
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name(3-methyl-1,2-oxazol-5-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCc1cc(C(=O)N2Cc3ccccc3C(c3nccn3Cc3cccnc3)C2)on1
InChIInChI=1S/C23H21N5O2/c1-16-11-21(30-26-16)23(29)28-14-18-6-2-3-7-19(18)20(15-28)22-25-9-10-27(22)13-17-5-4-8-24-12-17/h2-12,20H,13-15H2,1H3
InChIKeyIZPAUEAKPFZXRC-UHFFFAOYSA-N
XLogP3.41
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-methyl-1,2-oxazol-5-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone with MolForge

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Related Compounds

1-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one
CID 131668819
(3-methyl-1,2-oxazol-5-yl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72863746
(3-methyl-1,2-oxazol-5-yl)-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 129400971
(6-methyl-3-pyridinyl)-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72923628
3-methyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 125440680
(3-methyl-1,2-oxazol-5-yl)-[(6R)-6-(pyridin-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
CID 97477062
(4-methyl-3-pyridinyl)-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97199720
(5-methyl-1H-imidazol-2-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72870005
(5-methyl-1H-imidazol-2-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97131283
(2-ethyl-4-pyridinyl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72855314
N-phenyl-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 70760109
(2-methyl-1,3-thiazol-4-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97197914

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone (CID 131671323) is (3-methyl-1,2-oxazol-5-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone is Cc1cc(C(=O)N2Cc3ccccc3C(c3nccn3Cc3cccnc3)C2)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The InChIKey is IZPAUEAKPFZXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-16-11-21(30-26-16)23(29)28-14-18-6-2-3-7-19(18)20(15-28)22-25-9-10-27(22)13-17-5-4-8-24-12-17/h2-12,20H,13-15H2,1H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
(3-methyl-1,2-oxazol-5-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone has a molecular weight of 399.45 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone is sourced from PubChem (CID 131671323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).