(5-cyclopropyl-6-methylpyridazin-3-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone

C19H21N3O — CID 146596366

IUPAC(5-cyclopropyl-6-methylpyridazin-3-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCc1nnc(C(=O)N2CCc3ccccc3[C@H]2C)cc1C1CC1
InChIInChI=1S/C19H21N3O/c1-12-17(15-7-8-15)11-18(21-20-12)19(23)22-10-9-14-5-3-4-6-16(14)13(22)2/h3-6,11,13,15H,7-10H2,1-2H3/t13-/m1/s1
InChIKeyUGGHCQMQYXVBEN-CYBMUJFWSA-N
MW307.40 g/mol
LogP3.42
Rot. Bonds2

About (5-cyclopropyl-6-methylpyridazin-3-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone

(5-cyclopropyl-6-methylpyridazin-3-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone (PubChem CID 146596366) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is (5-cyclopropyl-6-methylpyridazin-3-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-6-methylpyridazin-3-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
PubChem CID146596366
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name(5-cyclopropyl-6-methylpyridazin-3-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCc1nnc(C(=O)N2CCc3ccccc3[C@H]2C)cc1C1CC1
InChIInChI=1S/C19H21N3O/c1-12-17(15-7-8-15)11-18(21-20-12)19(23)22-10-9-14-5-3-4-6-16(14)13(22)2/h3-6,11,13,15H,7-10H2,1-2H3/t13-/m1/s1
InChIKeyUGGHCQMQYXVBEN-CYBMUJFWSA-N
XLogP3.42
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-cyclopropyl-6-methylpyridazin-3-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone with MolForge

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Related Compounds

(7-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone;ethene
CID 145178774
(1-amino-2-cyclopropylpyridin-1-ium-4-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 147262789
(3,4-dimethylphenyl)-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 59934246
furan-2-yl-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 42710493
furan-3-yl-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 53194905
[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone
CID 124612411
(6-chloro-4-methoxypyrazolo[1,5-a]pyridin-2-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 68801742
(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119778435
[7-cyclopropyl-2-[4-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-fluorophenyl]-[1,3]oxazolo[5,4-b]pyridin-5-yl]-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 155724770
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 120631607
(2-bromo-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 170008820
[4-(aminomethyl)phenyl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 119320591

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-6-methylpyridazin-3-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The IUPAC name of (5-cyclopropyl-6-methylpyridazin-3-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone (CID 146596366) is (5-cyclopropyl-6-methylpyridazin-3-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-6-methylpyridazin-3-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The canonical SMILES for (5-cyclopropyl-6-methylpyridazin-3-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone is Cc1nnc(C(=O)N2CCc3ccccc3[C@H]2C)cc1C1CC1.
What is the InChIKey of (5-cyclopropyl-6-methylpyridazin-3-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The InChIKey is UGGHCQMQYXVBEN-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21N3O/c1-12-17(15-7-8-15)11-18(21-20-12)19(23)22-10-9-14-5-3-4-6-16(14)13(22)2/h3-6,11,13,15H,7-10H2,1-2H3/t13-/m1/s1.
What are the key properties of (5-cyclopropyl-6-methylpyridazin-3-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
(5-cyclopropyl-6-methylpyridazin-3-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone has a molecular weight of 307.40 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-6-methylpyridazin-3-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone is sourced from PubChem (CID 146596366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).