2-[6-amino-5-[1-(5-piperidin-1-ylpent-2-ynyl)pyrazol-4-yl]pyridazin-3-yl]phenol

C23H26N6O — CID 159652390

IUPAC2-[6-amino-5-[1-(5-piperidin-1-ylpent-2-ynyl)pyrazol-4-yl]pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1-c1cnn(CC#CCCN2CCCCC2)c1
InChIInChI=1S/C23H26N6O/c24-23-20(15-21(26-27-23)19-9-3-4-10-22(19)30)18-16-25-29(17-18)14-8-2-7-13-28-11-5-1-6-12-28/h3-4,9-10,15-17,30H,1,5-7,11-14H2,(H2,24,27)
InChIKeyVIDFHHJEXOWHEW-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.17
Rot. Bonds5

About 2-[6-amino-5-[1-(5-piperidin-1-ylpent-2-ynyl)pyrazol-4-yl]pyridazin-3-yl]phenol

2-[6-amino-5-[1-(5-piperidin-1-ylpent-2-ynyl)pyrazol-4-yl]pyridazin-3-yl]phenol (PubChem CID 159652390) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-[6-amino-5-[1-(5-piperidin-1-ylpent-2-ynyl)pyrazol-4-yl]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-[1-(5-piperidin-1-ylpent-2-ynyl)pyrazol-4-yl]pyridazin-3-yl]phenol
PubChem CID159652390
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name2-[6-amino-5-[1-(5-piperidin-1-ylpent-2-ynyl)pyrazol-4-yl]pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1-c1cnn(CC#CCCN2CCCCC2)c1
InChIInChI=1S/C23H26N6O/c24-23-20(15-21(26-27-23)19-9-3-4-10-22(19)30)18-16-25-29(17-18)14-8-2-7-13-28-11-5-1-6-12-28/h3-4,9-10,15-17,30H,1,5-7,11-14H2,(H2,24,27)
InChIKeyVIDFHHJEXOWHEW-UHFFFAOYSA-N
XLogP3.17
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]but-2-ynyl]piperazine-1-carboxylate
CID 139545931
(2S,4R)-1-[2-[3-[2-[4-[5-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]pent-3-ynyl]piperazin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 139545934
tert-butyl (3R)-3-[[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]methyl]piperidine-1-carboxylate
CID 155740342
oxalic acid;1-[2-(4-phenylpyrazol-1-yl)ethyl]piperidine
CID 67459493
tert-butyl 4-[3-[2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]ethoxy]cyclobutyl]oxypiperidine-1-carboxylate
CID 139546226
2-[4-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]piperidin-1-yl]phenyl]acetamide;ethane
CID 155740707
tert-butyl N-[3-[4-[[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]phenyl]methyl]piperazin-1-yl]propyl]carbamate
CID 155390943
3-[4-[3-[(3R)-3-[[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]methyl]piperidin-1-yl]propyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 155739979
3-[5-[2-[4-[[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]methyl]piperidin-1-yl]ethyl]pyrido[2,3-b]indol-9-yl]piperidine-2,6-dione
CID 153390463
N-[3-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]phenyl]-3-piperidin-1-ylpropanamide;hydrochloride
CID 135456002
2-[6-amino-5-[(5S)-5-methyl-4-[2-(3-piperidin-1-ylprop-1-ynyl)-4-pyridinyl]-1,4-diazepan-1-yl]pyridazin-3-yl]phenol
CID 170627906
2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol
CID 147428670

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-[1-(5-piperidin-1-ylpent-2-ynyl)pyrazol-4-yl]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-[1-(5-piperidin-1-ylpent-2-ynyl)pyrazol-4-yl]pyridazin-3-yl]phenol (CID 159652390) is 2-[6-amino-5-[1-(5-piperidin-1-ylpent-2-ynyl)pyrazol-4-yl]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-[1-(5-piperidin-1-ylpent-2-ynyl)pyrazol-4-yl]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-[1-(5-piperidin-1-ylpent-2-ynyl)pyrazol-4-yl]pyridazin-3-yl]phenol is Nc1nnc(-c2ccccc2O)cc1-c1cnn(CC#CCCN2CCCCC2)c1.
What is the InChIKey of 2-[6-amino-5-[1-(5-piperidin-1-ylpent-2-ynyl)pyrazol-4-yl]pyridazin-3-yl]phenol?
The InChIKey is VIDFHHJEXOWHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c24-23-20(15-21(26-27-23)19-9-3-4-10-22(19)30)18-16-25-29(17-18)14-8-2-7-13-28-11-5-1-6-12-28/h3-4,9-10,15-17,30H,1,5-7,11-14H2,(H2,24,27).
What are the key properties of 2-[6-amino-5-[1-(5-piperidin-1-ylpent-2-ynyl)pyrazol-4-yl]pyridazin-3-yl]phenol?
2-[6-amino-5-[1-(5-piperidin-1-ylpent-2-ynyl)pyrazol-4-yl]pyridazin-3-yl]phenol has a molecular weight of 402.50 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-[1-(5-piperidin-1-ylpent-2-ynyl)pyrazol-4-yl]pyridazin-3-yl]phenol is sourced from PubChem (CID 159652390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).