5-[6-[[(3R)-piperidin-3-yl]amino]pyridazin-3-yl]-1-benzothiophen-4-ol

C17H18N4OS — CID 171837978

IUPAC5-[6-[[(3R)-piperidin-3-yl]amino]pyridazin-3-yl]-1-benzothiophen-4-ol
SMILESOc1c(-c2ccc(N[C@@H]3CCCNC3)nn2)ccc2sccc12
InChIInChI=1S/C17H18N4OS/c22-17-12(3-5-15-13(17)7-9-23-15)14-4-6-16(21-20-14)19-11-2-1-8-18-10-11/h3-7,9,11,18,22H,1-2,8,10H2,(H,19,21)/t11-/m1/s1
InChIKeyLOXXZQASLZXQAF-LLVKDONJSA-N
MW326.43 g/mol
LogP3.23
Rot. Bonds3

About 5-[6-[[(3R)-piperidin-3-yl]amino]pyridazin-3-yl]-1-benzothiophen-4-ol

5-[6-[[(3R)-piperidin-3-yl]amino]pyridazin-3-yl]-1-benzothiophen-4-ol (PubChem CID 171837978) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 5-[6-[[(3R)-piperidin-3-yl]amino]pyridazin-3-yl]-1-benzothiophen-4-ol.

Molecular Properties

Compound Name5-[6-[[(3R)-piperidin-3-yl]amino]pyridazin-3-yl]-1-benzothiophen-4-ol
PubChem CID171837978
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name5-[6-[[(3R)-piperidin-3-yl]amino]pyridazin-3-yl]-1-benzothiophen-4-ol
SMILESOc1c(-c2ccc(N[C@@H]3CCCNC3)nn2)ccc2sccc12
InChIInChI=1S/C17H18N4OS/c22-17-12(3-5-15-13(17)7-9-23-15)14-4-6-16(21-20-14)19-11-2-1-8-18-10-11/h3-7,9,11,18,22H,1-2,8,10H2,(H,19,21)/t11-/m1/s1
InChIKeyLOXXZQASLZXQAF-LLVKDONJSA-N
XLogP3.23
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(difluoromethoxy)-3-methyl-2-[6-(piperidin-3-ylamino)pyridazin-3-yl]phenol
CID 178140660
N-piperidin-3-yl-6-propylpyridazin-3-amine
CID 116971005
5-[6-[[(6R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl]amino]-4-methylpyridazin-3-yl]-1-benzothiophen-4-ol
CID 170443209
N-pyrrolidin-3-yl-6-thieno[2,3-c]pyridin-4-ylpyridazine-3-carboxamide
CID 166300673
6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 115266503
N-pyrrolidin-3-yl-6-(1H-pyrrol-3-yl)pyridazin-3-amine
CID 116970983
N-[(3R)-piperidin-3-yl]-1,3-thiazol-2-amine
CID 71637319
5-cyclopropyl-2-[4-methyl-6-[[(3R)-piperidin-3-yl]amino]pyridazin-3-yl]phenol
CID 167138214
5-[6-[[(1R,2S)-2-hydroxycyclohexyl]amino]-4-methylpyridazin-3-yl]-1-benzothiophen-4-ol
CID 170443425
N-piperidin-3-ylpyridin-2-amine
CID 63321128
6-methyl-N-[(3R)-pyrrolidin-3-yl]pyridazin-3-amine;hydrochloride
CID 71638623
2-[(3R)-3-[[6-(4-hydroxy-1-benzothiophen-5-yl)-5-methylpyridazin-3-yl]amino]piperidin-1-yl]-1-(4-hydroxypiperidin-1-yl)ethanone
CID 171837838

Frequently Asked Questions

What is the IUPAC name of 5-[6-[[(3R)-piperidin-3-yl]amino]pyridazin-3-yl]-1-benzothiophen-4-ol?
The IUPAC name of 5-[6-[[(3R)-piperidin-3-yl]amino]pyridazin-3-yl]-1-benzothiophen-4-ol (CID 171837978) is 5-[6-[[(3R)-piperidin-3-yl]amino]pyridazin-3-yl]-1-benzothiophen-4-ol.
What is the SMILES notation for 5-[6-[[(3R)-piperidin-3-yl]amino]pyridazin-3-yl]-1-benzothiophen-4-ol?
The canonical SMILES for 5-[6-[[(3R)-piperidin-3-yl]amino]pyridazin-3-yl]-1-benzothiophen-4-ol is Oc1c(-c2ccc(N[C@@H]3CCCNC3)nn2)ccc2sccc12.
What is the InChIKey of 5-[6-[[(3R)-piperidin-3-yl]amino]pyridazin-3-yl]-1-benzothiophen-4-ol?
The InChIKey is LOXXZQASLZXQAF-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18N4OS/c22-17-12(3-5-15-13(17)7-9-23-15)14-4-6-16(21-20-14)19-11-2-1-8-18-10-11/h3-7,9,11,18,22H,1-2,8,10H2,(H,19,21)/t11-/m1/s1.
What are the key properties of 5-[6-[[(3R)-piperidin-3-yl]amino]pyridazin-3-yl]-1-benzothiophen-4-ol?
5-[6-[[(3R)-piperidin-3-yl]amino]pyridazin-3-yl]-1-benzothiophen-4-ol has a molecular weight of 326.43 g/mol, XLogP of 3.23, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[[(3R)-piperidin-3-yl]amino]pyridazin-3-yl]-1-benzothiophen-4-ol is sourced from PubChem (CID 171837978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).