2-[6-amino-5-[2-(piperidin-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]pyridazin-3-yl]phenol

C22H30N6O2 — CID 168901478

IUPAC2-[6-amino-5-[2-(piperidin-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1N1CCOC2(CN(CC3CCNCC3)C2)C1
InChIInChI=1S/C22H30N6O2/c23-21-19(11-18(25-26-21)17-3-1-2-4-20(17)29)28-9-10-30-22(15-28)13-27(14-22)12-16-5-7-24-8-6-16/h1-4,11,16,24,29H,5-10,12-15H2,(H2,23,26)
InChIKeyJCICWURGLDDBND-UHFFFAOYSA-N
MW410.52 g/mol
LogP1.32
Rot. Bonds4

About 2-[6-amino-5-[2-(piperidin-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]pyridazin-3-yl]phenol

2-[6-amino-5-[2-(piperidin-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]pyridazin-3-yl]phenol (PubChem CID 168901478) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-[6-amino-5-[2-(piperidin-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-[2-(piperidin-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]pyridazin-3-yl]phenol
PubChem CID168901478
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC Name2-[6-amino-5-[2-(piperidin-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1N1CCOC2(CN(CC3CCNCC3)C2)C1
InChIInChI=1S/C22H30N6O2/c23-21-19(11-18(25-26-21)17-3-1-2-4-20(17)29)28-9-10-30-22(15-28)13-27(14-22)12-16-5-7-24-8-6-16/h1-4,11,16,24,29H,5-10,12-15H2,(H2,23,26)
InChIKeyJCICWURGLDDBND-UHFFFAOYSA-N
XLogP1.32
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[6-amino-5-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)pyridazin-3-yl]phenol
CID 139546200
2-[6-amino-5-[4-[4-(3-piperidin-4-yloxycyclobutyl)but-3-yn-2-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]pyridazin-3-yl]phenol
CID 146339767
2-[6-amino-5-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenol
CID 152825660
2-[6-amino-5-[8-[6-(piperidin-4-ylmethoxy)-3-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol
CID 163401080
2-[6-amino-5-(4-ethylpiperazin-1-yl)pyridazin-3-yl]phenol
CID 171638960
2-[6-amino-5-[8-[3-(piperazin-1-ylmethyl)phenyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol;hydrobromide
CID 164578458
2-[6-amino-5-[4-[[4-(pyrrolidin-3-ylamino)phenyl]methyl]piperazin-1-yl]pyridazin-3-yl]phenol
CID 177309439
(3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-3-ol
CID 162668961
2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol
CID 147428670
2-[6-amino-5-[3-[(5-piperidin-4-ylpyrimidin-2-yl)methyl]-7-azatricyclo[3.3.1.03,9]nonan-7-yl]pyridazin-3-yl]phenol
CID 155405201
2-[6-amino-5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]phenol
CID 137029504
tert-butyl 2-[2-[[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3-azabicyclo[3.2.1]octan-8-yl]methyl]-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-7-azaspiro[3.5]nonane-7-carboxylate;ethane;propane;prop-1-ene
CID 168903809

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-[2-(piperidin-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-[2-(piperidin-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]pyridazin-3-yl]phenol (CID 168901478) is 2-[6-amino-5-[2-(piperidin-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-[2-(piperidin-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-[2-(piperidin-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]pyridazin-3-yl]phenol is Nc1nnc(-c2ccccc2O)cc1N1CCOC2(CN(CC3CCNCC3)C2)C1.
What is the InChIKey of 2-[6-amino-5-[2-(piperidin-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]pyridazin-3-yl]phenol?
The InChIKey is JCICWURGLDDBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c23-21-19(11-18(25-26-21)17-3-1-2-4-20(17)29)28-9-10-30-22(15-28)13-27(14-22)12-16-5-7-24-8-6-16/h1-4,11,16,24,29H,5-10,12-15H2,(H2,23,26).
What are the key properties of 2-[6-amino-5-[2-(piperidin-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]pyridazin-3-yl]phenol?
2-[6-amino-5-[2-(piperidin-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]pyridazin-3-yl]phenol has a molecular weight of 410.52 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-[2-(piperidin-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]pyridazin-3-yl]phenol is sourced from PubChem (CID 168901478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).