[6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-piperidin-1-ylindazol-1-yl]-2-pyridinyl]methanol

C27H32N6O — CID 155123759

IUPAC[6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-piperidin-1-ylindazol-1-yl]-2-pyridinyl]methanol
SMILESNCCCCc1cccc(-c2cc(N3CCCCC3)c3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C27H32N6O/c28-13-3-2-8-21-9-6-11-24(30-21)20-16-25(32-14-4-1-5-15-32)23-18-29-33(26(23)17-20)27-12-7-10-22(19-34)31-27/h6-7,9-12,16-18,34H,1-5,8,13-15,19,28H2
InChIKeyIUMPOPWFVALORR-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.25
Rot. Bonds8

About [6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-piperidin-1-ylindazol-1-yl]-2-pyridinyl]methanol

[6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-piperidin-1-ylindazol-1-yl]-2-pyridinyl]methanol (PubChem CID 155123759) has the molecular formula C27H32N6O and a molecular weight of 456.59 g/mol. Its IUPAC name is [6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-piperidin-1-ylindazol-1-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-piperidin-1-ylindazol-1-yl]-2-pyridinyl]methanol
PubChem CID155123759
Molecular FormulaC27H32N6O
Molecular Weight456.59 g/mol
Exact Mass456.26
IUPAC Name[6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-piperidin-1-ylindazol-1-yl]-2-pyridinyl]methanol
SMILESNCCCCc1cccc(-c2cc(N3CCCCC3)c3cnn(-c4cccc(CO)n4)c3c2)n1
InChIInChI=1S/C27H32N6O/c28-13-3-2-8-21-9-6-11-24(30-21)20-16-25(32-14-4-1-5-15-32)23-18-29-33(26(23)17-20)27-12-7-10-22(19-34)31-27/h6-7,9-12,16-18,34H,1-5,8,13-15,19,28H2
InChIKeyIUMPOPWFVALORR-UHFFFAOYSA-N
XLogP4.25
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.25
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]-4-piperidin-1-ylindazol-1-yl]-2-pyridinyl]methanol?
The IUPAC name of [6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-piperidin-1-ylindazol-1-yl]-2-pyridinyl]methanol (CID 155123759) is [6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-piperidin-1-ylindazol-1-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-piperidin-1-ylindazol-1-yl]-2-pyridinyl]methanol?
The canonical SMILES for [6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-piperidin-1-ylindazol-1-yl]-2-pyridinyl]methanol is NCCCCc1cccc(-c2cc(N3CCCCC3)c3cnn(-c4cccc(CO)n4)c3c2)n1.
What is the InChIKey of [6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-piperidin-1-ylindazol-1-yl]-2-pyridinyl]methanol?
The InChIKey is IUMPOPWFVALORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O/c28-13-3-2-8-21-9-6-11-24(30-21)20-16-25(32-14-4-1-5-15-32)23-18-29-33(26(23)17-20)27-12-7-10-22(19-34)31-27/h6-7,9-12,16-18,34H,1-5,8,13-15,19,28H2.
What are the key properties of [6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-piperidin-1-ylindazol-1-yl]-2-pyridinyl]methanol?
[6-[6-[6-(4-aminobutyl)-2-pyridinyl]-4-piperidin-1-ylindazol-1-yl]-2-pyridinyl]methanol has a molecular weight of 456.59 g/mol, XLogP of 4.25, 8 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]-4-piperidin-1-ylindazol-1-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 155123759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).