[2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-5-phenylphenyl]methanol

C22H23N3O2 — CID 167577678

IUPAC[2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-5-phenylphenyl]methanol
SMILESCc1ccc(O[C@H]2CCN(c3ccc(-c4ccccc4)cc3CO)C2)nn1
InChIInChI=1S/C22H23N3O2/c1-16-7-10-22(24-23-16)27-20-11-12-25(14-20)21-9-8-18(13-19(21)15-26)17-5-3-2-4-6-17/h2-10,13,20,26H,11-12,14-15H2,1H3/t20-/m0/s1
InChIKeyGTISKLWOUSNRFC-FQEVSTJZSA-N
MW361.45 g/mol
LogP3.60
Rot. Bonds5

About [2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-5-phenylphenyl]methanol

[2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-5-phenylphenyl]methanol (PubChem CID 167577678) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is [2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-5-phenylphenyl]methanol.

Molecular Properties

Compound Name[2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-5-phenylphenyl]methanol
PubChem CID167577678
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name[2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-5-phenylphenyl]methanol
SMILESCc1ccc(O[C@H]2CCN(c3ccc(-c4ccccc4)cc3CO)C2)nn1
InChIInChI=1S/C22H23N3O2/c1-16-7-10-22(24-23-16)27-20-11-12-25(14-20)21-9-8-18(13-19(21)15-26)17-5-3-2-4-6-17/h2-10,13,20,26H,11-12,14-15H2,1H3/t20-/m0/s1
InChIKeyGTISKLWOUSNRFC-FQEVSTJZSA-N
XLogP3.60
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-5-phenylphenyl]methanol?
The IUPAC name of [2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-5-phenylphenyl]methanol (CID 167577678) is [2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-5-phenylphenyl]methanol.
What is the SMILES notation for [2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-5-phenylphenyl]methanol?
The canonical SMILES for [2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-5-phenylphenyl]methanol is Cc1ccc(O[C@H]2CCN(c3ccc(-c4ccccc4)cc3CO)C2)nn1.
What is the InChIKey of [2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-5-phenylphenyl]methanol?
The InChIKey is GTISKLWOUSNRFC-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16-7-10-22(24-23-16)27-20-11-12-25(14-20)21-9-8-18(13-19(21)15-26)17-5-3-2-4-6-17/h2-10,13,20,26H,11-12,14-15H2,1H3/t20-/m0/s1.
What are the key properties of [2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-5-phenylphenyl]methanol?
[2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-5-phenylphenyl]methanol has a molecular weight of 361.45 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-5-phenylphenyl]methanol is sourced from PubChem (CID 167577678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).