1-[6-[4-[(1-propylindazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]ethenol

C22H27N5O — CID 70639271

IUPAC1-[6-[4-[(1-propylindazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]ethenol
SMILESC=C(O)c1ccc(N2CCN(Cc3nn(CCC)c4ccccc34)CC2)nc1
InChIInChI=1S/C22H27N5O/c1-3-10-27-21-7-5-4-6-19(21)20(24-27)16-25-11-13-26(14-12-25)22-9-8-18(15-23-22)17(2)28/h4-9,15,28H,2-3,10-14,16H2,1H3
InChIKeyFTBHTUQAJIQSDS-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.69
Rot. Bonds6

About 1-[6-[4-[(1-propylindazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]ethenol

1-[6-[4-[(1-propylindazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]ethenol (PubChem CID 70639271) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-[6-[4-[(1-propylindazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]ethenol.

Molecular Properties

Compound Name1-[6-[4-[(1-propylindazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]ethenol
PubChem CID70639271
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name1-[6-[4-[(1-propylindazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]ethenol
SMILESC=C(O)c1ccc(N2CCN(Cc3nn(CCC)c4ccccc34)CC2)nc1
InChIInChI=1S/C22H27N5O/c1-3-10-27-21-7-5-4-6-19(21)20(24-27)16-25-11-13-26(14-12-25)22-9-8-18(15-23-22)17(2)28/h4-9,15,28H,2-3,10-14,16H2,1H3
InChIKeyFTBHTUQAJIQSDS-UHFFFAOYSA-N
XLogP3.69
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-[(1-propylindazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]ethenol?
The IUPAC name of 1-[6-[4-[(1-propylindazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]ethenol (CID 70639271) is 1-[6-[4-[(1-propylindazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]ethenol.
What is the SMILES notation for 1-[6-[4-[(1-propylindazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]ethenol?
The canonical SMILES for 1-[6-[4-[(1-propylindazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]ethenol is C=C(O)c1ccc(N2CCN(Cc3nn(CCC)c4ccccc34)CC2)nc1.
What is the InChIKey of 1-[6-[4-[(1-propylindazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]ethenol?
The InChIKey is FTBHTUQAJIQSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-3-10-27-21-7-5-4-6-19(21)20(24-27)16-25-11-13-26(14-12-25)22-9-8-18(15-23-22)17(2)28/h4-9,15,28H,2-3,10-14,16H2,1H3.
What are the key properties of 1-[6-[4-[(1-propylindazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]ethenol?
1-[6-[4-[(1-propylindazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]ethenol has a molecular weight of 377.49 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-[(1-propylindazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]ethenol is sourced from PubChem (CID 70639271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).