1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]pyrrolidin-3-ol

C16H26ClN5O — CID 171837779

IUPAC1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]pyrrolidin-3-ol
SMILESCc1cc(N[C@@H]2CCCN(CCN3CCC(O)C3)C2)nnc1Cl
InChIInChI=1S/C16H26ClN5O/c1-12-9-15(19-20-16(12)17)18-13-3-2-5-21(10-13)7-8-22-6-4-14(23)11-22/h9,13-14,23H,2-8,10-11H2,1H3,(H,18,19)/t13-,14?/m1/s1
InChIKeyHNERCLWMFGUBQI-KWCCSABGSA-N
MW339.87 g/mol
LogP1.38
Rot. Bonds5

About 1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]pyrrolidin-3-ol

1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]pyrrolidin-3-ol (PubChem CID 171837779) has the molecular formula C16H26ClN5O and a molecular weight of 339.87 g/mol. Its IUPAC name is 1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]pyrrolidin-3-ol
PubChem CID171837779
Molecular FormulaC16H26ClN5O
Molecular Weight339.87 g/mol
Exact Mass339.18
IUPAC Name1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]pyrrolidin-3-ol
SMILESCc1cc(N[C@@H]2CCCN(CCN3CCC(O)C3)C2)nnc1Cl
InChIInChI=1S/C16H26ClN5O/c1-12-9-15(19-20-16(12)17)18-13-3-2-5-21(10-13)7-8-22-6-4-14(23)11-22/h9,13-14,23H,2-8,10-11H2,1H3,(H,18,19)/t13-,14?/m1/s1
InChIKeyHNERCLWMFGUBQI-KWCCSABGSA-N
XLogP1.38
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]pyrrolidin-3-ol (CID 171837779) is 1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]pyrrolidin-3-ol is Cc1cc(N[C@@H]2CCCN(CCN3CCC(O)C3)C2)nnc1Cl.
What is the InChIKey of 1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]pyrrolidin-3-ol?
The InChIKey is HNERCLWMFGUBQI-KWCCSABGSA-N. The full InChI is InChI=1S/C16H26ClN5O/c1-12-9-15(19-20-16(12)17)18-13-3-2-5-21(10-13)7-8-22-6-4-14(23)11-22/h9,13-14,23H,2-8,10-11H2,1H3,(H,18,19)/t13-,14?/m1/s1.
What are the key properties of 1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]pyrrolidin-3-ol?
1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]pyrrolidin-3-ol has a molecular weight of 339.87 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 171837779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).