(3R)-5-[(7-chloro-1-methylpyrazolo[4,5-d]pyridazin-4-yl)amino]piperidin-3-ol;hydrochloride

C11H16Cl2N6O — CID 175577582

IUPAC(3R)-5-[(7-chloro-1-methylpyrazolo[4,5-d]pyridazin-4-yl)amino]piperidin-3-ol;hydrochloride
SMILESCl.Cn1ncc2c(NC3CNC[C@H](O)C3)nnc(Cl)c21
InChIInChI=1S/C11H15ClN6O.ClH/c1-18-9-8(5-14-18)11(17-16-10(9)12)15-6-2-7(19)4-13-3-6;/h5-7,13,19H,2-4H2,1H3,(H,15,17);1H/t6?,7-;/m1./s1
InChIKeySUNBVOASAFXSEH-SGMQTFONSA-N
MW319.20 g/mol
LogP0.57
Rot. Bonds2

About (3R)-5-[(7-chloro-1-methylpyrazolo[4,5-d]pyridazin-4-yl)amino]piperidin-3-ol;hydrochloride

(3R)-5-[(7-chloro-1-methylpyrazolo[4,5-d]pyridazin-4-yl)amino]piperidin-3-ol;hydrochloride (PubChem CID 175577582) has the molecular formula C11H16Cl2N6O and a molecular weight of 319.20 g/mol. Its IUPAC name is (3R)-5-[(7-chloro-1-methylpyrazolo[4,5-d]pyridazin-4-yl)amino]piperidin-3-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-5-[(7-chloro-1-methylpyrazolo[4,5-d]pyridazin-4-yl)amino]piperidin-3-ol;hydrochloride
PubChem CID175577582
Molecular FormulaC11H16Cl2N6O
Molecular Weight319.20 g/mol
Exact Mass318.08
IUPAC Name(3R)-5-[(7-chloro-1-methylpyrazolo[4,5-d]pyridazin-4-yl)amino]piperidin-3-ol;hydrochloride
SMILESCl.Cn1ncc2c(NC3CNC[C@H](O)C3)nnc(Cl)c21
InChIInChI=1S/C11H15ClN6O.ClH/c1-18-9-8(5-14-18)11(17-16-10(9)12)15-6-2-7(19)4-13-3-6;/h5-7,13,19H,2-4H2,1H3,(H,15,17);1H/t6?,7-;/m1./s1
InChIKeySUNBVOASAFXSEH-SGMQTFONSA-N
XLogP0.57
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (3R)-5-[(7-chloro-1-methylpyrazolo[4,5-d]pyridazin-4-yl)amino]piperidin-3-ol;hydrochloride with MolForge

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Related Compounds

(3S,5R)-5-[(7-chloro-1-methylpyrazolo[4,5-d]pyridazin-4-yl)amino]piperidin-3-ol;hydrochloride
CID 171783150
(3S,5R)-5-[(6-chloro-5-methyl-1,2,4-triazin-3-yl)amino]piperidin-3-ol
CID 166153016
trans-(1R,3R)-3-[(4-chlorophthalazin-1-yl)amino]cyclopentan-1-ol
CID 167292889
6-chloro-N-cyclopropyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82460053
N-(azetidin-3-yl)-3-chloropyrazin-2-amine
CID 121204705
1-chloro-N-[(3R)-piperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine
CID 168973381
3-hydroxy-4-[1-methyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[4,5-d]pyridazin-7-yl]benzonitrile
CID 174266635
(3aR,6aS)-5-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120846045
2-[4-[[(1R,2R)-2-hydroxycyclohexyl]amino]-1-methylpyrazolo[4,5-d]pyridazin-7-yl]-5-(trifluoromethyl)phenol
CID 171783144
2-[(5-chloro-1-methylpyrazol-4-yl)amino]cyclopentan-1-ol
CID 164649883
N-(azetidin-3-yl)-1-methylpyrazol-4-amine;dihydrochloride
CID 91811702
N-[6-chloro-4-(trifluoromethyl)pyridazin-3-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-amine;hydrochloride
CID 166794417

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(7-chloro-1-methylpyrazolo[4,5-d]pyridazin-4-yl)amino]piperidin-3-ol;hydrochloride?
The IUPAC name of (3R)-5-[(7-chloro-1-methylpyrazolo[4,5-d]pyridazin-4-yl)amino]piperidin-3-ol;hydrochloride (CID 175577582) is (3R)-5-[(7-chloro-1-methylpyrazolo[4,5-d]pyridazin-4-yl)amino]piperidin-3-ol;hydrochloride.
What is the SMILES notation for (3R)-5-[(7-chloro-1-methylpyrazolo[4,5-d]pyridazin-4-yl)amino]piperidin-3-ol;hydrochloride?
The canonical SMILES for (3R)-5-[(7-chloro-1-methylpyrazolo[4,5-d]pyridazin-4-yl)amino]piperidin-3-ol;hydrochloride is Cl.Cn1ncc2c(NC3CNC[C@H](O)C3)nnc(Cl)c21.
What is the InChIKey of (3R)-5-[(7-chloro-1-methylpyrazolo[4,5-d]pyridazin-4-yl)amino]piperidin-3-ol;hydrochloride?
The InChIKey is SUNBVOASAFXSEH-SGMQTFONSA-N. The full InChI is InChI=1S/C11H15ClN6O.ClH/c1-18-9-8(5-14-18)11(17-16-10(9)12)15-6-2-7(19)4-13-3-6;/h5-7,13,19H,2-4H2,1H3,(H,15,17);1H/t6?,7-;/m1./s1.
What are the key properties of (3R)-5-[(7-chloro-1-methylpyrazolo[4,5-d]pyridazin-4-yl)amino]piperidin-3-ol;hydrochloride?
(3R)-5-[(7-chloro-1-methylpyrazolo[4,5-d]pyridazin-4-yl)amino]piperidin-3-ol;hydrochloride has a molecular weight of 319.20 g/mol, XLogP of 0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-[(7-chloro-1-methylpyrazolo[4,5-d]pyridazin-4-yl)amino]piperidin-3-ol;hydrochloride is sourced from PubChem (CID 175577582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).