4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinoline

C17H17N3 — CID 68995479

IUPAC4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2ccccc2C(c2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C17H17N3/c1-20-10-13-4-2-3-5-15(13)16(11-20)12-6-7-17-14(8-12)9-18-19-17/h2-9,16H,10-11H2,1H3,(H,18,19)
InChIKeyJRUNWUCFSINWFW-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.14
Rot. Bonds1

About 4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinoline

4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 68995479) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID68995479
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2ccccc2C(c2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C17H17N3/c1-20-10-13-4-2-3-5-15(13)16(11-20)12-6-7-17-14(8-12)9-18-19-17/h2-9,16H,10-11H2,1H3,(H,18,19)
InChIKeyJRUNWUCFSINWFW-UHFFFAOYSA-N
XLogP3.14
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinoline (CID 68995479) is 4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinoline is CN1Cc2ccccc2C(c2ccc3[nH]ncc3c2)C1.
What is the InChIKey of 4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is JRUNWUCFSINWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-20-10-13-4-2-3-5-15(13)16(11-20)12-6-7-17-14(8-12)9-18-19-17/h2-9,16H,10-11H2,1H3,(H,18,19).
What are the key properties of 4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 263.34 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 68995479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).