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

C21H22N4O — CID 168926736

IUPAC4-[8-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,3-c]isoquinolin-1-yl]cyclohexan-1-ol
SMILESCn1cc(-c2ccc3cnc4[nH]cc(C5CCC(O)CC5)c4c3c2)cn1
InChIInChI=1S/C21H22N4O/c1-25-12-16(10-24-25)14-2-3-15-9-22-21-20(18(15)8-14)19(11-23-21)13-4-6-17(26)7-5-13/h2-3,8-13,17,26H,4-7H2,1H3,(H,22,23)
InChIKeyGJJBKWUWITZZKL-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.14
Rot. Bonds2

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

4-[8-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,3-c]isoquinolin-1-yl]cyclohexan-1-ol (PubChem CID 168926736) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[8-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,3-c]isoquinolin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[8-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,3-c]isoquinolin-1-yl]cyclohexan-1-ol
PubChem CID168926736
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name4-[8-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,3-c]isoquinolin-1-yl]cyclohexan-1-ol
SMILESCn1cc(-c2ccc3cnc4[nH]cc(C5CCC(O)CC5)c4c3c2)cn1
InChIInChI=1S/C21H22N4O/c1-25-12-16(10-24-25)14-2-3-15-9-22-21-20(18(15)8-14)19(11-23-21)13-4-6-17(26)7-5-13/h2-3,8-13,17,26H,4-7H2,1H3,(H,22,23)
InChIKeyGJJBKWUWITZZKL-UHFFFAOYSA-N
XLogP4.14
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[8-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,3-c]isoquinolin-1-yl]cyclohexan-1-ol with MolForge

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Related Compounds

[4-[8-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,3-c]isoquinolin-1-yl]cyclohexyl]-piperazin-1-ylmethanone
CID 168926548
[8-(1-methylpyrazol-4-yl)-2-trimethylsilyl-3H-pyrrolo[2,3-c]isoquinolin-1-yl]methanol
CID 174059960
3-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-4-ol
CID 168925716
2-(4-hydroxypiperidin-1-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]acetamide
CID 138587464
4-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 121357847
tert-butyl 3-[4-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]piperidin-1-yl]sulfonylazetidine-1-carboxylate
CID 146372880
5-(4-ethenylcyclohexyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 147382339
N-methyl-6-(1-methylpyrazol-4-yl)isoquinoline-3-carboxamide
CID 168926334
2-[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetohydrazide
CID 59320322
3-cyclopropyl-5-[4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyrazolo[1,5-a]pyrimidine
CID 168773734
3-(1-methylpyrazol-4-yl)-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine
CID 25024002
3-iodo-5-(1-methylpyrazol-4-yl)-2H-indazole
CID 90391133

Frequently Asked Questions

What is the IUPAC name of 4-[8-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,3-c]isoquinolin-1-yl]cyclohexan-1-ol?
The IUPAC name of 4-[8-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,3-c]isoquinolin-1-yl]cyclohexan-1-ol (CID 168926736) is 4-[8-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,3-c]isoquinolin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[8-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,3-c]isoquinolin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[8-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,3-c]isoquinolin-1-yl]cyclohexan-1-ol is Cn1cc(-c2ccc3cnc4[nH]cc(C5CCC(O)CC5)c4c3c2)cn1.
What is the InChIKey of 4-[8-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,3-c]isoquinolin-1-yl]cyclohexan-1-ol?
The InChIKey is GJJBKWUWITZZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-25-12-16(10-24-25)14-2-3-15-9-22-21-20(18(15)8-14)19(11-23-21)13-4-6-17(26)7-5-13/h2-3,8-13,17,26H,4-7H2,1H3,(H,22,23).
What are the key properties of 4-[8-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,3-c]isoquinolin-1-yl]cyclohexan-1-ol?
4-[8-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,3-c]isoquinolin-1-yl]cyclohexan-1-ol has a molecular weight of 346.43 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,3-c]isoquinolin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 168926736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).