(6-cyclopentyloxy-3-pyridinyl)-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone

C24H26N4O2 — CID 121023005

IUPAC(6-cyclopentyloxy-3-pyridinyl)-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCn1cc(C2CN(C(=O)c3ccc(OC4CCCC4)nc3)Cc3ccccc32)cn1
InChIInChI=1S/C24H26N4O2/c1-27-14-19(13-26-27)22-16-28(15-18-6-2-5-9-21(18)22)24(29)17-10-11-23(25-12-17)30-20-7-3-4-8-20/h2,5-6,9-14,20,22H,3-4,7-8,15-16H2,1H3
InChIKeyBYYQIRVIMLLFLW-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.92
Rot. Bonds4

About (6-cyclopentyloxy-3-pyridinyl)-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone

(6-cyclopentyloxy-3-pyridinyl)-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone (PubChem CID 121023005) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is (6-cyclopentyloxy-3-pyridinyl)-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone.

Molecular Properties

Compound Name(6-cyclopentyloxy-3-pyridinyl)-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
PubChem CID121023005
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name(6-cyclopentyloxy-3-pyridinyl)-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCn1cc(C2CN(C(=O)c3ccc(OC4CCCC4)nc3)Cc3ccccc32)cn1
InChIInChI=1S/C24H26N4O2/c1-27-14-19(13-26-27)22-16-28(15-18-6-2-5-9-21(18)22)24(29)17-10-11-23(25-12-17)30-20-7-3-4-8-20/h2,5-6,9-14,20,22H,3-4,7-8,15-16H2,1H3
InChIKeyBYYQIRVIMLLFLW-UHFFFAOYSA-N
XLogP3.92
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-cyclopentyloxy-3-pyridinyl)-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone with MolForge

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Related Compounds

[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(4-phenoxyphenyl)methanone
CID 121198418
[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(4-methylsulfanylphenyl)methanone
CID 121198510
[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3,4,5-triethoxyphenyl)methanone
CID 121198456
[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 121198476
(2,4-dimethylphenyl)-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 121198451
[5-(6-methoxy-3-pyridinyl)-1,2-oxazol-3-yl]-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 171620958
[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121198340
isoquinolin-1-yl-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 121198520
1H-indol-3-yl-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 121198457
[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 121198342
2-methyl-6-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]pyridazin-3-one
CID 119105754
2-(4-methylphenoxy)-1-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 121198470

Frequently Asked Questions

What is the IUPAC name of (6-cyclopentyloxy-3-pyridinyl)-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The IUPAC name of (6-cyclopentyloxy-3-pyridinyl)-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone (CID 121023005) is (6-cyclopentyloxy-3-pyridinyl)-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
What is the SMILES notation for (6-cyclopentyloxy-3-pyridinyl)-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The canonical SMILES for (6-cyclopentyloxy-3-pyridinyl)-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone is Cn1cc(C2CN(C(=O)c3ccc(OC4CCCC4)nc3)Cc3ccccc32)cn1.
What is the InChIKey of (6-cyclopentyloxy-3-pyridinyl)-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The InChIKey is BYYQIRVIMLLFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-27-14-19(13-26-27)22-16-28(15-18-6-2-5-9-21(18)22)24(29)17-10-11-23(25-12-17)30-20-7-3-4-8-20/h2,5-6,9-14,20,22H,3-4,7-8,15-16H2,1H3.
What are the key properties of (6-cyclopentyloxy-3-pyridinyl)-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
(6-cyclopentyloxy-3-pyridinyl)-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone has a molecular weight of 402.50 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyclopentyloxy-3-pyridinyl)-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone is sourced from PubChem (CID 121023005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).