(3R,4S)-1-[6-[6-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-2-pyridinyl]pyridazin-3-yl]-4-methylpyrrolidin-3-ol

C19H25N5O2 — CID 173296658

IUPAC(3R,4S)-1-[6-[6-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-2-pyridinyl]pyridazin-3-yl]-4-methylpyrrolidin-3-ol
SMILESC[C@H]1CN(c2ccc(-c3cccc(N4C[C@H](C)[C@@H](O)C4)n3)nn2)C[C@@H]1O
InChIInChI=1S/C19H25N5O2/c1-12-8-23(10-16(12)25)18-5-3-4-14(20-18)15-6-7-19(22-21-15)24-9-13(2)17(26)11-24/h3-7,12-13,16-17,25-26H,8-11H2,1-2H3/t12-,13-,16-,17-/m0/s1
InChIKeyVEZOCNXPLFDARI-PYTWLRIVSA-N
MW355.44 g/mol
LogP1.17
Rot. Bonds3

About (3R,4S)-1-[6-[6-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-2-pyridinyl]pyridazin-3-yl]-4-methylpyrrolidin-3-ol

(3R,4S)-1-[6-[6-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-2-pyridinyl]pyridazin-3-yl]-4-methylpyrrolidin-3-ol (PubChem CID 173296658) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (3R,4S)-1-[6-[6-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-2-pyridinyl]pyridazin-3-yl]-4-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-1-[6-[6-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-2-pyridinyl]pyridazin-3-yl]-4-methylpyrrolidin-3-ol
PubChem CID173296658
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name(3R,4S)-1-[6-[6-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-2-pyridinyl]pyridazin-3-yl]-4-methylpyrrolidin-3-ol
SMILESC[C@H]1CN(c2ccc(-c3cccc(N4C[C@H](C)[C@@H](O)C4)n3)nn2)C[C@@H]1O
InChIInChI=1S/C19H25N5O2/c1-12-8-23(10-16(12)25)18-5-3-4-14(20-18)15-6-7-19(22-21-15)24-9-13(2)17(26)11-24/h3-7,12-13,16-17,25-26H,8-11H2,1-2H3/t12-,13-,16-,17-/m0/s1
InChIKeyVEZOCNXPLFDARI-PYTWLRIVSA-N
XLogP1.17
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3R,4S)-1-[6-[6-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-2-pyridinyl]pyridazin-3-yl]-4-methylpyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[6-[6-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-2-pyridinyl]pyridazin-3-yl]-4-methylpyrrolidin-3-ol?
The IUPAC name of (3R,4S)-1-[6-[6-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-2-pyridinyl]pyridazin-3-yl]-4-methylpyrrolidin-3-ol (CID 173296658) is (3R,4S)-1-[6-[6-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-2-pyridinyl]pyridazin-3-yl]-4-methylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4S)-1-[6-[6-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-2-pyridinyl]pyridazin-3-yl]-4-methylpyrrolidin-3-ol?
The canonical SMILES for (3R,4S)-1-[6-[6-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-2-pyridinyl]pyridazin-3-yl]-4-methylpyrrolidin-3-ol is C[C@H]1CN(c2ccc(-c3cccc(N4C[C@H](C)[C@@H](O)C4)n3)nn2)C[C@@H]1O.
What is the InChIKey of (3R,4S)-1-[6-[6-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-2-pyridinyl]pyridazin-3-yl]-4-methylpyrrolidin-3-ol?
The InChIKey is VEZOCNXPLFDARI-PYTWLRIVSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-12-8-23(10-16(12)25)18-5-3-4-14(20-18)15-6-7-19(22-21-15)24-9-13(2)17(26)11-24/h3-7,12-13,16-17,25-26H,8-11H2,1-2H3/t12-,13-,16-,17-/m0/s1.
What are the key properties of (3R,4S)-1-[6-[6-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-2-pyridinyl]pyridazin-3-yl]-4-methylpyrrolidin-3-ol?
(3R,4S)-1-[6-[6-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-2-pyridinyl]pyridazin-3-yl]-4-methylpyrrolidin-3-ol has a molecular weight of 355.44 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[6-[6-[(3R,4S)-3-hydroxy-4-methylpyrrolidin-1-yl]-2-pyridinyl]pyridazin-3-yl]-4-methylpyrrolidin-3-ol is sourced from PubChem (CID 173296658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).