2-[6-amino-5-[1-(1-cyclohexylpiperidin-4-yl)-5-methylpyrazol-4-yl]pyridazin-3-yl]phenol

C25H32N6O — CID 170624487

IUPAC2-[6-amino-5-[1-(1-cyclohexylpiperidin-4-yl)-5-methylpyrazol-4-yl]pyridazin-3-yl]phenol
SMILESCc1c(-c2cc(-c3ccccc3O)nnc2N)cnn1C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C25H32N6O/c1-17-22(21-15-23(28-29-25(21)26)20-9-5-6-10-24(20)32)16-27-31(17)19-11-13-30(14-12-19)18-7-3-2-4-8-18/h5-6,9-10,15-16,18-19,32H,2-4,7-8,11-14H2,1H3,(H2,26,29)
InChIKeyVRHMOXIDEYHGRF-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.57
Rot. Bonds4

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

2-[6-amino-5-[1-(1-cyclohexylpiperidin-4-yl)-5-methylpyrazol-4-yl]pyridazin-3-yl]phenol (PubChem CID 170624487) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is 2-[6-amino-5-[1-(1-cyclohexylpiperidin-4-yl)-5-methylpyrazol-4-yl]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-[1-(1-cyclohexylpiperidin-4-yl)-5-methylpyrazol-4-yl]pyridazin-3-yl]phenol
PubChem CID170624487
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Name2-[6-amino-5-[1-(1-cyclohexylpiperidin-4-yl)-5-methylpyrazol-4-yl]pyridazin-3-yl]phenol
SMILESCc1c(-c2cc(-c3ccccc3O)nnc2N)cnn1C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C25H32N6O/c1-17-22(21-15-23(28-29-25(21)26)20-9-5-6-10-24(20)32)16-27-31(17)19-11-13-30(14-12-19)18-7-3-2-4-8-18/h5-6,9-10,15-16,18-19,32H,2-4,7-8,11-14H2,1H3,(H2,26,29)
InChIKeyVRHMOXIDEYHGRF-UHFFFAOYSA-N
XLogP4.57
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]azecan-3-ol
CID 137291772
2-(6-amino-5-methylpyridazin-3-yl)phenol
CID 145145780
2-[6-amino-5-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenol
CID 152825660
tert-butyl 4-[4-[3-amino-6-[2-(methoxymethoxy)phenyl]pyridazin-4-yl]-5-fluoropyrazol-1-yl]piperidine-1-carboxylate
CID 170624642
2-[6-amino-5-[4-[4-(1-cyclohexylpiperidin-4-yl)pyrimidin-2-yl]-3-ethyl-5-methylpiperazin-1-yl]pyridazin-3-yl]phenol
CID 174367371
2-[3-amino-1-(1-methylpiperidin-3-yl)pyrazolo[4,3-c]pyridazin-6-yl]phenol
CID 170180644
1-[7-[4-[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]pyrazol-1-yl]piperidin-1-yl]cyclohexyl]-1-methylindazol-3-yl]-1,3-diazinane-2,4-dione
CID 170625686
2-[6-amino-5-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyridazin-3-yl]phenol
CID 175422586
2-(3-amino-1-piperidin-3-ylpyrazolo[4,3-c]pyridazin-6-yl)phenol
CID 168896538
2-[6-amino-5-(4-methyldiazepan-1-yl)pyridazin-3-yl]phenol
CID 137045971
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-[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-(1-cyclohexylpiperidin-4-yl)-5-methylpyrazol-4-yl]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-[1-(1-cyclohexylpiperidin-4-yl)-5-methylpyrazol-4-yl]pyridazin-3-yl]phenol (CID 170624487) is 2-[6-amino-5-[1-(1-cyclohexylpiperidin-4-yl)-5-methylpyrazol-4-yl]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-[1-(1-cyclohexylpiperidin-4-yl)-5-methylpyrazol-4-yl]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-[1-(1-cyclohexylpiperidin-4-yl)-5-methylpyrazol-4-yl]pyridazin-3-yl]phenol is Cc1c(-c2cc(-c3ccccc3O)nnc2N)cnn1C1CCN(C2CCCCC2)CC1.
What is the InChIKey of 2-[6-amino-5-[1-(1-cyclohexylpiperidin-4-yl)-5-methylpyrazol-4-yl]pyridazin-3-yl]phenol?
The InChIKey is VRHMOXIDEYHGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O/c1-17-22(21-15-23(28-29-25(21)26)20-9-5-6-10-24(20)32)16-27-31(17)19-11-13-30(14-12-19)18-7-3-2-4-8-18/h5-6,9-10,15-16,18-19,32H,2-4,7-8,11-14H2,1H3,(H2,26,29).
What are the key properties of 2-[6-amino-5-[1-(1-cyclohexylpiperidin-4-yl)-5-methylpyrazol-4-yl]pyridazin-3-yl]phenol?
2-[6-amino-5-[1-(1-cyclohexylpiperidin-4-yl)-5-methylpyrazol-4-yl]pyridazin-3-yl]phenol has a molecular weight of 432.57 g/mol, XLogP of 4.57, 4 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-(1-cyclohexylpiperidin-4-yl)-5-methylpyrazol-4-yl]pyridazin-3-yl]phenol is sourced from PubChem (CID 170624487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).