(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-(6-pyrrolidin-1-yl-2-pyridinyl)methanol

C24H33N3O — CID 157026029

IUPAC(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-(6-pyrrolidin-1-yl-2-pyridinyl)methanol
SMILESCC(C)c1ccc(C(O)(c2cccc(N3CCCC3)n2)C2(C)CN(C)C2)cc1
InChIInChI=1S/C24H33N3O/c1-18(2)19-10-12-20(13-11-19)24(28,23(3)16-26(4)17-23)21-8-7-9-22(25-21)27-14-5-6-15-27/h7-13,18,28H,5-6,14-17H2,1-4H3
InChIKeyWAMNZIYKJAHEPF-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.99
Rot. Bonds5

About (1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-(6-pyrrolidin-1-yl-2-pyridinyl)methanol

(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-(6-pyrrolidin-1-yl-2-pyridinyl)methanol (PubChem CID 157026029) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is (1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-(6-pyrrolidin-1-yl-2-pyridinyl)methanol.

Molecular Properties

Compound Name(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-(6-pyrrolidin-1-yl-2-pyridinyl)methanol
PubChem CID157026029
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-(6-pyrrolidin-1-yl-2-pyridinyl)methanol
SMILESCC(C)c1ccc(C(O)(c2cccc(N3CCCC3)n2)C2(C)CN(C)C2)cc1
InChIInChI=1S/C24H33N3O/c1-18(2)19-10-12-20(13-11-19)24(28,23(3)16-26(4)17-23)21-8-7-9-22(25-21)27-14-5-6-15-27/h7-13,18,28H,5-6,14-17H2,1-4H3
InChIKeyWAMNZIYKJAHEPF-UHFFFAOYSA-N
XLogP3.99
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,4,4-Tetramethyl-1-(4-(propan-2-yl)phenyl)-3-(4-(pyridin-2-yl)piperazin-1-yl)cyclobutan-1-ol
CID 3040919
2,2,4,4-Tetramethyl-1-(4-(2-methylpropyl)phenyl)-3-(4-(pyridin-2-yl)piperazin-1-yl)cyclobutan-1-ol
CID 3044444
1-[6-(2-Aminoethyl)-2-methylpyrimidin-4-yl]-3-phenylpyrrolidin-3-ol
CID 56708909
(6R,9R)-6-(2,3-difluorophenyl)-2-(dimethylamino)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 70965676
(S)-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol
CID 157025833
(S)-[2-[(3S,4R)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol
CID 157025961
(S)-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-(3-methylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol
CID 167524081
(S)-[2-[(3R,4S)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-(3-methylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol
CID 167524132
[2-(3,3-Difluoropyrrolidin-1-yl)-4-pyridinyl]-(3-methylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol
CID 169718630
[2-[(3S,4R)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-(3-methylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol
CID 169719518
[2-(3,3-Difluoropyrrolidin-1-yl)-4-pyridinyl]-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol
CID 175382798
(S)-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-(3-methylazetidin-3-yl)-(4-propan-2-ylphenyl)methanol;hydrochloride
CID 175870331

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-(6-pyrrolidin-1-yl-2-pyridinyl)methanol?
The IUPAC name of (1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-(6-pyrrolidin-1-yl-2-pyridinyl)methanol (CID 157026029) is (1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-(6-pyrrolidin-1-yl-2-pyridinyl)methanol.
What is the SMILES notation for (1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-(6-pyrrolidin-1-yl-2-pyridinyl)methanol?
The canonical SMILES for (1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-(6-pyrrolidin-1-yl-2-pyridinyl)methanol is CC(C)c1ccc(C(O)(c2cccc(N3CCCC3)n2)C2(C)CN(C)C2)cc1.
What is the InChIKey of (1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-(6-pyrrolidin-1-yl-2-pyridinyl)methanol?
The InChIKey is WAMNZIYKJAHEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-18(2)19-10-12-20(13-11-19)24(28,23(3)16-26(4)17-23)21-8-7-9-22(25-21)27-14-5-6-15-27/h7-13,18,28H,5-6,14-17H2,1-4H3.
What are the key properties of (1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-(6-pyrrolidin-1-yl-2-pyridinyl)methanol?
(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-(6-pyrrolidin-1-yl-2-pyridinyl)methanol has a molecular weight of 379.55 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-(6-pyrrolidin-1-yl-2-pyridinyl)methanol is sourced from PubChem (CID 157026029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).