4-(3-thiophen-2-ylindazol-1-yl)isoquinoline

C20H13N3S — CID 132609258

IUPAC4-(3-thiophen-2-ylindazol-1-yl)isoquinoline
SMILESc1csc(-c2nn(-c3cncc4ccccc34)c3ccccc23)c1
InChIInChI=1S/C20H13N3S/c1-2-7-15-14(6-1)12-21-13-18(15)23-17-9-4-3-8-16(17)20(22-23)19-10-5-11-24-19/h1-13H
InChIKeyGUUVIRJKLDBIQI-UHFFFAOYSA-N
MW327.41 g/mol
LogP5.30
Rot. Bonds2

About 4-(3-thiophen-2-ylindazol-1-yl)isoquinoline

4-(3-thiophen-2-ylindazol-1-yl)isoquinoline (PubChem CID 132609258) has the molecular formula C20H13N3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-(3-thiophen-2-ylindazol-1-yl)isoquinoline.

Molecular Properties

Compound Name4-(3-thiophen-2-ylindazol-1-yl)isoquinoline
PubChem CID132609258
Molecular FormulaC20H13N3S
Molecular Weight327.41 g/mol
Exact Mass327.08
IUPAC Name4-(3-thiophen-2-ylindazol-1-yl)isoquinoline
SMILESc1csc(-c2nn(-c3cncc4ccccc34)c3ccccc23)c1
InChIInChI=1S/C20H13N3S/c1-2-7-15-14(6-1)12-21-13-18(15)23-17-9-4-3-8-16(17)20(22-23)19-10-5-11-24-19/h1-13H
InChIKeyGUUVIRJKLDBIQI-UHFFFAOYSA-N
XLogP5.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.41
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methylindazol-1-yl)isoquinoline
CID 118496552
1-methyl-3-thiophen-2-ylindazole
CID 57338749
2-phenyl-4-thiophen-2-ylphthalazin-1-one
CID 4053882
4-indol-1-ylisoquinoline
CID 68997324
2-pyridin-2-yl-4-thiophen-2-ylphthalazin-1-one
CID 3965196
2-methylsulfanyl-4-thiophen-2-ylquinazoline
CID 14117950
2-methyl-4-thiophen-2-ylphthalazin-1-one
CID 17487388
4-thiophen-2-ylisoquinolin-3-amine
CID 138975195
4-thiophen-2-yl-2-[5-(trifluoromethyl)-2-pyridinyl]phthalazin-1-one
CID 2310874
2,6-bis(5-thiophen-2-ylthiophen-2-yl)pyrazine
CID 59488709
4-(2-thiophen-2-ylpyrazolo[1,5-a]pyridin-3-yl)quinoline
CID 69221248
5-[1-[(4-chlorophenyl)methyl]indazol-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 141467458

Frequently Asked Questions

What is the IUPAC name of 4-(3-thiophen-2-ylindazol-1-yl)isoquinoline?
The IUPAC name of 4-(3-thiophen-2-ylindazol-1-yl)isoquinoline (CID 132609258) is 4-(3-thiophen-2-ylindazol-1-yl)isoquinoline.
What is the SMILES notation for 4-(3-thiophen-2-ylindazol-1-yl)isoquinoline?
The canonical SMILES for 4-(3-thiophen-2-ylindazol-1-yl)isoquinoline is c1csc(-c2nn(-c3cncc4ccccc34)c3ccccc23)c1.
What is the InChIKey of 4-(3-thiophen-2-ylindazol-1-yl)isoquinoline?
The InChIKey is GUUVIRJKLDBIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3S/c1-2-7-15-14(6-1)12-21-13-18(15)23-17-9-4-3-8-16(17)20(22-23)19-10-5-11-24-19/h1-13H.
What are the key properties of 4-(3-thiophen-2-ylindazol-1-yl)isoquinoline?
4-(3-thiophen-2-ylindazol-1-yl)isoquinoline has a molecular weight of 327.41 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-thiophen-2-ylindazol-1-yl)isoquinoline is sourced from PubChem (CID 132609258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).