[8-(1-methylpyrazol-4-yl)-2-trimethylsilyl-3H-pyrrolo[2,3-c]isoquinolin-1-yl]methanol

C19H22N4OSi — CID 174059960

IUPAC[8-(1-methylpyrazol-4-yl)-2-trimethylsilyl-3H-pyrrolo[2,3-c]isoquinolin-1-yl]methanol
SMILESCn1cc(-c2ccc3cnc4[nH]c([Si](C)(C)C)c(CO)c4c3c2)cn1
InChIInChI=1S/C19H22N4OSi/c1-23-10-14(9-21-23)12-5-6-13-8-20-18-17(15(13)7-12)16(11-24)19(22-18)25(2,3)4/h5-10,24H,11H2,1-4H3,(H,20,22)
InChIKeyNXNWBRUJFIYOIF-UHFFFAOYSA-N
MW350.50 g/mol
LogP3.15
Rot. Bonds3

About [8-(1-methylpyrazol-4-yl)-2-trimethylsilyl-3H-pyrrolo[2,3-c]isoquinolin-1-yl]methanol

[8-(1-methylpyrazol-4-yl)-2-trimethylsilyl-3H-pyrrolo[2,3-c]isoquinolin-1-yl]methanol (PubChem CID 174059960) has the molecular formula C19H22N4OSi and a molecular weight of 350.50 g/mol. Its IUPAC name is [8-(1-methylpyrazol-4-yl)-2-trimethylsilyl-3H-pyrrolo[2,3-c]isoquinolin-1-yl]methanol.

Molecular Properties

Compound Name[8-(1-methylpyrazol-4-yl)-2-trimethylsilyl-3H-pyrrolo[2,3-c]isoquinolin-1-yl]methanol
PubChem CID174059960
Molecular FormulaC19H22N4OSi
Molecular Weight350.50 g/mol
Exact Mass350.16
IUPAC Name[8-(1-methylpyrazol-4-yl)-2-trimethylsilyl-3H-pyrrolo[2,3-c]isoquinolin-1-yl]methanol
SMILESCn1cc(-c2ccc3cnc4[nH]c([Si](C)(C)C)c(CO)c4c3c2)cn1
InChIInChI=1S/C19H22N4OSi/c1-23-10-14(9-21-23)12-5-6-13-8-20-18-17(15(13)7-12)16(11-24)19(22-18)25(2,3)4/h5-10,24H,11H2,1-4H3,(H,20,22)
InChIKeyNXNWBRUJFIYOIF-UHFFFAOYSA-N
XLogP3.15
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-4-ol
CID 168925716
4-[8-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,3-c]isoquinolin-1-yl]cyclohexan-1-ol
CID 168926736
[4-[8-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,3-c]isoquinolin-1-yl]cyclohexyl]-piperazin-1-ylmethanone
CID 168926548
6-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-amine
CID 118184961
3-iodo-5-(1-methylpyrazol-4-yl)-2H-indazole
CID 90391133
N-methyl-6-(1-methylpyrazol-4-yl)isoquinoline-3-carboxamide
CID 168926334
6-(ethylamino)-9-(1-methylpyrazol-4-yl)-2H-benzo[c][1,6]naphthyridin-1-one
CID 25098080
2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetohydrazide
CID 59320322
2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide
CID 138589175
3-(hydroxymethyl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]bicyclo[1.1.0]butane-1-carboxamide
CID 166702449
N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-2-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)acetamide
CID 138587907
2-(4-cyclopropylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide
CID 155241408

Frequently Asked Questions

What is the IUPAC name of [8-(1-methylpyrazol-4-yl)-2-trimethylsilyl-3H-pyrrolo[2,3-c]isoquinolin-1-yl]methanol?
The IUPAC name of [8-(1-methylpyrazol-4-yl)-2-trimethylsilyl-3H-pyrrolo[2,3-c]isoquinolin-1-yl]methanol (CID 174059960) is [8-(1-methylpyrazol-4-yl)-2-trimethylsilyl-3H-pyrrolo[2,3-c]isoquinolin-1-yl]methanol.
What is the SMILES notation for [8-(1-methylpyrazol-4-yl)-2-trimethylsilyl-3H-pyrrolo[2,3-c]isoquinolin-1-yl]methanol?
The canonical SMILES for [8-(1-methylpyrazol-4-yl)-2-trimethylsilyl-3H-pyrrolo[2,3-c]isoquinolin-1-yl]methanol is Cn1cc(-c2ccc3cnc4[nH]c([Si](C)(C)C)c(CO)c4c3c2)cn1.
What is the InChIKey of [8-(1-methylpyrazol-4-yl)-2-trimethylsilyl-3H-pyrrolo[2,3-c]isoquinolin-1-yl]methanol?
The InChIKey is NXNWBRUJFIYOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OSi/c1-23-10-14(9-21-23)12-5-6-13-8-20-18-17(15(13)7-12)16(11-24)19(22-18)25(2,3)4/h5-10,24H,11H2,1-4H3,(H,20,22).
What are the key properties of [8-(1-methylpyrazol-4-yl)-2-trimethylsilyl-3H-pyrrolo[2,3-c]isoquinolin-1-yl]methanol?
[8-(1-methylpyrazol-4-yl)-2-trimethylsilyl-3H-pyrrolo[2,3-c]isoquinolin-1-yl]methanol has a molecular weight of 350.50 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(1-methylpyrazol-4-yl)-2-trimethylsilyl-3H-pyrrolo[2,3-c]isoquinolin-1-yl]methanol is sourced from PubChem (CID 174059960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).