(2R)-2-phenyl-1-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol

C18H24N4O — CID 95600206

IUPAC(2R)-2-phenyl-1-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol
SMILESC[C@](O)(CNC[C@@H]1CCCN1c1cccnn1)c1ccccc1
InChIInChI=1S/C18H24N4O/c1-18(23,15-7-3-2-4-8-15)14-19-13-16-9-6-12-22(16)17-10-5-11-20-21-17/h2-5,7-8,10-11,16,19,23H,6,9,12-14H2,1H3/t16-,18-/m0/s1
InChIKeySATDXCPSXXKDKA-WMZOPIPTSA-N
MW312.42 g/mol
LogP1.94
Rot. Bonds6

About (2R)-2-phenyl-1-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol

(2R)-2-phenyl-1-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol (PubChem CID 95600206) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is (2R)-2-phenyl-1-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-2-phenyl-1-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol
PubChem CID95600206
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name(2R)-2-phenyl-1-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol
SMILESC[C@](O)(CNC[C@@H]1CCCN1c1cccnn1)c1ccccc1
InChIInChI=1S/C18H24N4O/c1-18(23,15-7-3-2-4-8-15)14-19-13-16-9-6-12-22(16)17-10-5-11-20-21-17/h2-5,7-8,10-11,16,19,23H,6,9,12-14H2,1H3/t16-,18-/m0/s1
InChIKeySATDXCPSXXKDKA-WMZOPIPTSA-N
XLogP1.94
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-phenyl-1-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol with MolForge

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Related Compounds

N-[(1S)-1-phenylethyl]-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 95600131
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95764526
2-methylsulfonyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]ethanamine
CID 95610324
(1-pyridazin-3-ylpyrrolidin-2-yl)methanol
CID 62482647
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95600122
N-[(2-methylphenyl)methyl]-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 95600155
N-(2H-chromen-3-ylmethyl)-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95979097
N-[(1-phenyltetrazol-5-yl)methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95329826
3-[2-(bromomethyl)pyrrolidin-1-yl]pyridazine
CID 80668055
N-[(4-methylsulfonylphenyl)methyl]-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95610651
N-(1-ethylpiperidin-4-yl)-2-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]acetamide
CID 97028778
(1R)-1-(3,4-dimethylphenyl)-2-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]ethanol
CID 95764540

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-1-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol?
The IUPAC name of (2R)-2-phenyl-1-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol (CID 95600206) is (2R)-2-phenyl-1-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol.
What is the SMILES notation for (2R)-2-phenyl-1-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol?
The canonical SMILES for (2R)-2-phenyl-1-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol is C[C@](O)(CNC[C@@H]1CCCN1c1cccnn1)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-1-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol?
The InChIKey is SATDXCPSXXKDKA-WMZOPIPTSA-N. The full InChI is InChI=1S/C18H24N4O/c1-18(23,15-7-3-2-4-8-15)14-19-13-16-9-6-12-22(16)17-10-5-11-20-21-17/h2-5,7-8,10-11,16,19,23H,6,9,12-14H2,1H3/t16-,18-/m0/s1.
What are the key properties of (2R)-2-phenyl-1-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol?
(2R)-2-phenyl-1-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol has a molecular weight of 312.42 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-1-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methylamino]propan-2-ol is sourced from PubChem (CID 95600206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).