2-(2-pyridin-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-3,4-dihydro-1H-isoquinoline

C21H22N4 — CID 175774600

IUPAC2-(2-pyridin-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-3,4-dihydro-1H-isoquinoline
SMILESc1ccc(-n2cc3c(n2)CCC(N2CCc4ccccc4C2)C3)nc1
InChIInChI=1S/C21H22N4/c1-2-6-17-14-24(12-10-16(17)5-1)19-8-9-20-18(13-19)15-25(23-20)21-7-3-4-11-22-21/h1-7,11,15,19H,8-10,12-14H2
InChIKeyBBBLEGSJQPBXRE-UHFFFAOYSA-N
MW330.44 g/mol
LogP3.18
Rot. Bonds2

About 2-(2-pyridin-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-3,4-dihydro-1H-isoquinoline

2-(2-pyridin-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 175774600) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 2-(2-pyridin-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(2-pyridin-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID175774600
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name2-(2-pyridin-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-3,4-dihydro-1H-isoquinoline
SMILESc1ccc(-n2cc3c(n2)CCC(N2CCc4ccccc4C2)C3)nc1
InChIInChI=1S/C21H22N4/c1-2-6-17-14-24(12-10-16(17)5-1)19-8-9-20-18(13-19)15-25(23-20)21-7-3-4-11-22-21/h1-7,11,15,19H,8-10,12-14H2
InChIKeyBBBLEGSJQPBXRE-UHFFFAOYSA-N
XLogP3.18
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-pyridin-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 96626310
6-[(3,5-difluorophenyl)methyl]-2-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine
CID 167377706
2-(1-pyrazin-2-ylazetidin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 121183729
5-propan-2-yl-2-pyridin-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 176692287
2-(azetidin-3-yl)-3,4-dihydro-1H-isoquinoline
CID 62785737
3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-1,2,5-thiadiazole
CID 121183740
(13aS)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine
CID 125495617
N-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 47048730
7-(azetidin-1-yl)-5,6,7,8-tetrahydroquinoline
CID 14835988
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]ethanone
CID 119103450
2-(1-pyridin-3-ylsulfonylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 18399942
6-(1-benzhydrylpiperidin-4-yl)-7,8-dihydro-5H-1,6-naphthyridine
CID 164880569

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(2-pyridin-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-3,4-dihydro-1H-isoquinoline (CID 175774600) is 2-(2-pyridin-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(2-pyridin-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(2-pyridin-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-3,4-dihydro-1H-isoquinoline is c1ccc(-n2cc3c(n2)CCC(N2CCc4ccccc4C2)C3)nc1.
What is the InChIKey of 2-(2-pyridin-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is BBBLEGSJQPBXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-2-6-17-14-24(12-10-16(17)5-1)19-8-9-20-18(13-19)15-25(23-20)21-7-3-4-11-22-21/h1-7,11,15,19H,8-10,12-14H2.
What are the key properties of 2-(2-pyridin-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-3,4-dihydro-1H-isoquinoline?
2-(2-pyridin-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 330.44 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-yl-4,5,6,7-tetrahydroindazol-5-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 175774600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).