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

C18H21N7O — CID 175422586

IUPAC2-[6-amino-5-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1Nc1cnn(C2CCNCC2)c1
InChIInChI=1S/C18H21N7O/c19-18-16(9-15(23-24-18)14-3-1-2-4-17(14)26)22-12-10-21-25(11-12)13-5-7-20-8-6-13/h1-4,9-11,13,20,26H,5-8H2,(H2,19,24)(H,22,23)
InChIKeyUGVGMECUBFRQSS-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.30
Rot. Bonds4

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

2-[6-amino-5-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyridazin-3-yl]phenol (PubChem CID 175422586) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[6-amino-5-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyridazin-3-yl]phenol
PubChem CID175422586
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name2-[6-amino-5-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1Nc1cnn(C2CCNCC2)c1
InChIInChI=1S/C18H21N7O/c19-18-16(9-15(23-24-18)14-3-1-2-4-17(14)26)22-12-10-21-25(11-12)13-5-7-20-8-6-13/h1-4,9-11,13,20,26H,5-8H2,(H2,19,24)(H,22,23)
InChIKeyUGVGMECUBFRQSS-UHFFFAOYSA-N
XLogP2.30
TPSA113.91 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2-ethylphenyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine
CID 159211145
2-(5-piperidin-4-yl-4,5,7,9,10-pentazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),3,8,10-pentaen-11-yl)phenol
CID 170625362
2-[6-amino-5-[(1S,5R)-8-[3-(piperidin-4-ylamino)phenyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol
CID 170624837
3-[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]isoquinolin-5-ol
CID 67521356
4-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine
CID 134421040
2-[6-amino-5-[(Z)-1-amino-3-(1-piperidin-4-ylpiperidin-4-yl)iminoprop-1-en-2-yl]pyridazin-3-yl]phenol
CID 155739945
2-[4-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]piperidin-1-yl]phenyl]acetamide;ethane
CID 155740707
N-cycloheptyl-1-piperidin-4-ylpyrazol-4-amine
CID 82932629
3-(4-ethyl-3-pyridinyl)-6-N-(1-piperidin-4-ylpyrazol-4-yl)-2,7-naphthyridine-1,6-diamine
CID 135345232
N-[[4-[2-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]oxyethyl]phenyl]methyl]piperidine-4-carboxamide
CID 168740581
2-[6-amino-5-[1-(1-cyclohexylpiperidin-4-yl)-5-methylpyrazol-4-yl]pyridazin-3-yl]phenol
CID 170624487
3-isoquinolin-3-yl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;trihydrochloride
CID 67520854

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyridazin-3-yl]phenol (CID 175422586) is 2-[6-amino-5-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyridazin-3-yl]phenol is Nc1nnc(-c2ccccc2O)cc1Nc1cnn(C2CCNCC2)c1.
What is the InChIKey of 2-[6-amino-5-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyridazin-3-yl]phenol?
The InChIKey is UGVGMECUBFRQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c19-18-16(9-15(23-24-18)14-3-1-2-4-17(14)26)22-12-10-21-25(11-12)13-5-7-20-8-6-13/h1-4,9-11,13,20,26H,5-8H2,(H2,19,24)(H,22,23).
What are the key properties of 2-[6-amino-5-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyridazin-3-yl]phenol?
2-[6-amino-5-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyridazin-3-yl]phenol has a molecular weight of 351.41 g/mol, XLogP of 2.30, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyridazin-3-yl]phenol is sourced from PubChem (CID 175422586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).