3-(1H-indol-3-yl)-2-[(6-pyrazol-1-ylpyrazin-2-yl)amino]propan-1-ol

C18H18N6O — CID 84584832

IUPAC3-(1H-indol-3-yl)-2-[(6-pyrazol-1-ylpyrazin-2-yl)amino]propan-1-ol
SMILESOCC(Cc1c[nH]c2ccccc12)Nc1cncc(-n2cccn2)n1
InChIInChI=1S/C18H18N6O/c25-12-14(8-13-9-20-16-5-2-1-4-15(13)16)22-17-10-19-11-18(23-17)24-7-3-6-21-24/h1-7,9-11,14,20,25H,8,12H2,(H,22,23)
InChIKeyXUUMSPBXROATOK-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.16
Rot. Bonds6

About 3-(1H-indol-3-yl)-2-[(6-pyrazol-1-ylpyrazin-2-yl)amino]propan-1-ol

3-(1H-indol-3-yl)-2-[(6-pyrazol-1-ylpyrazin-2-yl)amino]propan-1-ol (PubChem CID 84584832) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-2-[(6-pyrazol-1-ylpyrazin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-2-[(6-pyrazol-1-ylpyrazin-2-yl)amino]propan-1-ol
PubChem CID84584832
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name3-(1H-indol-3-yl)-2-[(6-pyrazol-1-ylpyrazin-2-yl)amino]propan-1-ol
SMILESOCC(Cc1c[nH]c2ccccc12)Nc1cncc(-n2cccn2)n1
InChIInChI=1S/C18H18N6O/c25-12-14(8-13-9-20-16-5-2-1-4-15(13)16)22-17-10-19-11-18(23-17)24-7-3-6-21-24/h1-7,9-11,14,20,25H,8,12H2,(H,22,23)
InChIKeyXUUMSPBXROATOK-UHFFFAOYSA-N
XLogP2.16
TPSA91.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(1H-indol-3-yl)-2-[(6-pyrazol-1-ylpyrazin-2-yl)amino]propan-1-ol with MolForge

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Related Compounds

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2-[(4-tert-butylphenyl)sulfanylamino]-3-(1H-indol-3-yl)propan-1-ol
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N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide
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1-[2-(1H-indol-3-yl)ethyl]-3-[(6-pyrazol-1-yl-3-pyridinyl)methyl]urea
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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-2-[(6-pyrazol-1-ylpyrazin-2-yl)amino]propan-1-ol?
The IUPAC name of 3-(1H-indol-3-yl)-2-[(6-pyrazol-1-ylpyrazin-2-yl)amino]propan-1-ol (CID 84584832) is 3-(1H-indol-3-yl)-2-[(6-pyrazol-1-ylpyrazin-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-(1H-indol-3-yl)-2-[(6-pyrazol-1-ylpyrazin-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-(1H-indol-3-yl)-2-[(6-pyrazol-1-ylpyrazin-2-yl)amino]propan-1-ol is OCC(Cc1c[nH]c2ccccc12)Nc1cncc(-n2cccn2)n1.
What is the InChIKey of 3-(1H-indol-3-yl)-2-[(6-pyrazol-1-ylpyrazin-2-yl)amino]propan-1-ol?
The InChIKey is XUUMSPBXROATOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c25-12-14(8-13-9-20-16-5-2-1-4-15(13)16)22-17-10-19-11-18(23-17)24-7-3-6-21-24/h1-7,9-11,14,20,25H,8,12H2,(H,22,23).
What are the key properties of 3-(1H-indol-3-yl)-2-[(6-pyrazol-1-ylpyrazin-2-yl)amino]propan-1-ol?
3-(1H-indol-3-yl)-2-[(6-pyrazol-1-ylpyrazin-2-yl)amino]propan-1-ol has a molecular weight of 334.38 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-2-[(6-pyrazol-1-ylpyrazin-2-yl)amino]propan-1-ol is sourced from PubChem (CID 84584832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).