[6-[6-[6-(4-aminobutyl)-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol

C21H22N6O — CID 155123770

IUPAC[6-[6-[6-(4-aminobutyl)-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol
SMILESNCCCCc1cccc(-c2ccc3cnn(-c4cncc(CO)n4)c3c2)n1
InChIInChI=1S/C21H22N6O/c22-9-2-1-4-17-5-3-6-19(25-17)15-7-8-16-11-24-27(20(16)10-15)21-13-23-12-18(14-28)26-21/h3,5-8,10-13,28H,1-2,4,9,14,22H2
InChIKeyITGPZXDVCWHATF-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.65
Rot. Bonds7

About [6-[6-[6-(4-aminobutyl)-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol

[6-[6-[6-(4-aminobutyl)-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol (PubChem CID 155123770) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is [6-[6-[6-(4-aminobutyl)-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[6-[6-[6-(4-aminobutyl)-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol
PubChem CID155123770
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name[6-[6-[6-(4-aminobutyl)-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol
SMILESNCCCCc1cccc(-c2ccc3cnn(-c4cncc(CO)n4)c3c2)n1
InChIInChI=1S/C21H22N6O/c22-9-2-1-4-17-5-3-6-19(25-17)15-7-8-16-11-24-27(20(16)10-15)21-13-23-12-18(14-28)26-21/h3,5-8,10-13,28H,1-2,4,9,14,22H2
InChIKeyITGPZXDVCWHATF-UHFFFAOYSA-N
XLogP2.65
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-[6-[6-(4-aminobutyl)-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol?
The IUPAC name of [6-[6-[6-(4-aminobutyl)-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol (CID 155123770) is [6-[6-[6-(4-aminobutyl)-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol.
What is the SMILES notation for [6-[6-[6-(4-aminobutyl)-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol?
The canonical SMILES for [6-[6-[6-(4-aminobutyl)-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol is NCCCCc1cccc(-c2ccc3cnn(-c4cncc(CO)n4)c3c2)n1.
What is the InChIKey of [6-[6-[6-(4-aminobutyl)-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol?
The InChIKey is ITGPZXDVCWHATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c22-9-2-1-4-17-5-3-6-19(25-17)15-7-8-16-11-24-27(20(16)10-15)21-13-23-12-18(14-28)26-21/h3,5-8,10-13,28H,1-2,4,9,14,22H2.
What are the key properties of [6-[6-[6-(4-aminobutyl)-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol?
[6-[6-[6-(4-aminobutyl)-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol has a molecular weight of 374.45 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-[6-(4-aminobutyl)-2-pyridinyl]indazol-1-yl]pyrazin-2-yl]methanol is sourced from PubChem (CID 155123770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).