2-[3-(ethylamino)-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl]phenol

C18H22N6O — CID 168896307

IUPAC2-[3-(ethylamino)-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl]phenol
SMILESCCNc1nn(C2CCNCC2)c2cc(-c3ccccc3O)nnc12
InChIInChI=1S/C18H22N6O/c1-2-20-18-17-15(24(23-18)12-7-9-19-10-8-12)11-14(21-22-17)13-5-3-4-6-16(13)25/h3-6,11-12,19,25H,2,7-10H2,1H3,(H,20,23)
InChIKeyWOFDPJMGBFXPDY-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.56
Rot. Bonds4

About 2-[3-(ethylamino)-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl]phenol

2-[3-(ethylamino)-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl]phenol (PubChem CID 168896307) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 2-[3-(ethylamino)-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl]phenol.

Molecular Properties

Compound Name2-[3-(ethylamino)-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl]phenol
PubChem CID168896307
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name2-[3-(ethylamino)-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl]phenol
SMILESCCNc1nn(C2CCNCC2)c2cc(-c3ccccc3O)nnc12
InChIInChI=1S/C18H22N6O/c1-2-20-18-17-15(24(23-18)12-7-9-19-10-8-12)11-14(21-22-17)13-5-3-4-6-16(13)25/h3-6,11-12,19,25H,2,7-10H2,1H3,(H,20,23)
InChIKeyWOFDPJMGBFXPDY-UHFFFAOYSA-N
XLogP2.56
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(3-chloro-2-hydroxyphenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-3-yl]cyclopropanecarboxamide
CID 168896509
2-(3-amino-1-piperidin-3-ylpyrazolo[4,3-c]pyridazin-6-yl)phenol
CID 168896538
2-[1-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-3-(methylamino)pyrazolo[4,3-c]pyridazin-6-yl]phenol
CID 168896427
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
tert-butyl 4-[6-(3-fluoro-2-hydroxyphenyl)-3-(propylamino)pyrazolo[4,3-c]pyridazin-1-yl]piperidine-1-carboxylate
CID 168896649
2-[3-amino-1-[1-(2-piperidin-4-yloxy-4-pyridinyl)piperidin-4-yl]pyrazolo[4,3-c]pyridazin-6-yl]phenol
CID 168896440
2-[3-amino-1-(1-methylpiperidin-3-yl)pyrazolo[4,3-c]pyridazin-6-yl]phenol
CID 170180644
N-[(2S)-4-hydroxy-3,3-dimethylbutan-2-yl]-2-[4-[[4-[6-(2-hydroxyphenyl)-3-(methylamino)pyrazolo[4,3-c]pyridazin-1-yl]piperidin-1-yl]methyl]piperidin-1-yl]acetamide
CID 174049111
2-[1-[8-[2-[[5-[(2S)-4-hydroxy-3-methylbutan-2-yl]-1,2-oxazol-3-yl]oxy]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-(methylamino)pyrazolo[4,3-c]pyridazin-6-yl]phenol
CID 174050384
12-[4-[3-amino-6-(2-hydroxyphenyl)pyrazolo[4,3-c]pyridazin-1-yl]piperidin-1-yl]dodecanoic acid
CID 168896409
tert-butyl 4-[3-[2-[4-[6-(2-hydroxyphenyl)-3-(propan-2-ylamino)pyrazolo[4,3-c]pyridazin-1-yl]piperidin-1-yl]pyrimidin-5-yl]oxycyclobutyl]oxypiperidine-1-carboxylate
CID 168896554
2-[5-(azetidin-3-yl)-7-(difluoromethyl)pyrrolo[3,2-c]pyridazin-3-yl]phenol
CID 170334226

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylamino)-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl]phenol?
The IUPAC name of 2-[3-(ethylamino)-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl]phenol (CID 168896307) is 2-[3-(ethylamino)-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl]phenol.
What is the SMILES notation for 2-[3-(ethylamino)-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl]phenol?
The canonical SMILES for 2-[3-(ethylamino)-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl]phenol is CCNc1nn(C2CCNCC2)c2cc(-c3ccccc3O)nnc12.
What is the InChIKey of 2-[3-(ethylamino)-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl]phenol?
The InChIKey is WOFDPJMGBFXPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-2-20-18-17-15(24(23-18)12-7-9-19-10-8-12)11-14(21-22-17)13-5-3-4-6-16(13)25/h3-6,11-12,19,25H,2,7-10H2,1H3,(H,20,23).
What are the key properties of 2-[3-(ethylamino)-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl]phenol?
2-[3-(ethylamino)-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl]phenol has a molecular weight of 338.42 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylamino)-1-piperidin-4-ylpyrazolo[4,3-c]pyridazin-6-yl]phenol is sourced from PubChem (CID 168896307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).