(1,3-dimethylazetidin-3-yl)-phenyl-(5-pyrrolidin-1-yl-3-pyridinyl)methanol

C21H27N3O — CID 157026032

IUPAC(1,3-dimethylazetidin-3-yl)-phenyl-(5-pyrrolidin-1-yl-3-pyridinyl)methanol
SMILESCN1CC(C)(C(O)(c2ccccc2)c2cncc(N3CCCC3)c2)C1
InChIInChI=1S/C21H27N3O/c1-20(15-23(2)16-20)21(25,17-8-4-3-5-9-17)18-12-19(14-22-13-18)24-10-6-7-11-24/h3-5,8-9,12-14,25H,6-7,10-11,15-16H2,1-2H3
InChIKeyYIVDPNZPUJALQG-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.87
Rot. Bonds4

About (1,3-dimethylazetidin-3-yl)-phenyl-(5-pyrrolidin-1-yl-3-pyridinyl)methanol

(1,3-dimethylazetidin-3-yl)-phenyl-(5-pyrrolidin-1-yl-3-pyridinyl)methanol (PubChem CID 157026032) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is (1,3-dimethylazetidin-3-yl)-phenyl-(5-pyrrolidin-1-yl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(1,3-dimethylazetidin-3-yl)-phenyl-(5-pyrrolidin-1-yl-3-pyridinyl)methanol
PubChem CID157026032
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name(1,3-dimethylazetidin-3-yl)-phenyl-(5-pyrrolidin-1-yl-3-pyridinyl)methanol
SMILESCN1CC(C)(C(O)(c2ccccc2)c2cncc(N3CCCC3)c2)C1
InChIInChI=1S/C21H27N3O/c1-20(15-23(2)16-20)21(25,17-8-4-3-5-9-17)18-12-19(14-22-13-18)24-10-6-7-11-24/h3-5,8-9,12-14,25H,6-7,10-11,15-16H2,1-2H3
InChIKeyYIVDPNZPUJALQG-UHFFFAOYSA-N
XLogP2.87
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,3-dimethylazetidin-3-yl)-(5-pyrrolidin-1-yl-3-pyridinyl)-[4-(trifluoromethyl)phenyl]methanol
CID 175382791
(R)-(1,3-dimethylazetidin-3-yl)-(5-pyrrolidin-1-yl-3-pyridinyl)-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methanol
CID 157026130
1-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]piperidin-3-ol
CID 157025946
1-[(3S)-1-[5-[(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]pyrrolidin-3-yl]ethanol
CID 175382622
tert-butyl 3-[(R)-hydroxy-(5-pyrrolidin-1-yl-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methyl]-3-methylazetidine-1-carboxylate
CID 157025931
(1,3-dimethylazetidin-3-yl)-(5-pyrazol-1-yl-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanol
CID 157026118
(R)-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-[5-[3-(trifluoromethyl)pyrrol-1-yl]-3-pyridinyl]methanol
CID 166525275
3-[5-[(R)-(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-1-oxa-3-azaspiro[4.4]nonan-2-one
CID 157025823
(R)-(1,3-dimethylazetidin-3-yl)-[5-(2-phenylmethoxyethyl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
CID 157026534
3-[5-[(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]but-3-en-1-ol
CID 175382570
4-[5-[(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]but-3-yn-1-ol
CID 175382685
1-[5-[(1,3-dimethylazetidin-3-yl)-hydroxy-(4-propan-2-ylphenyl)methyl]-3-pyridinyl]-4-(2-methylpropyl)pyrrolidin-2-one
CID 175382813

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylazetidin-3-yl)-phenyl-(5-pyrrolidin-1-yl-3-pyridinyl)methanol?
The IUPAC name of (1,3-dimethylazetidin-3-yl)-phenyl-(5-pyrrolidin-1-yl-3-pyridinyl)methanol (CID 157026032) is (1,3-dimethylazetidin-3-yl)-phenyl-(5-pyrrolidin-1-yl-3-pyridinyl)methanol.
What is the SMILES notation for (1,3-dimethylazetidin-3-yl)-phenyl-(5-pyrrolidin-1-yl-3-pyridinyl)methanol?
The canonical SMILES for (1,3-dimethylazetidin-3-yl)-phenyl-(5-pyrrolidin-1-yl-3-pyridinyl)methanol is CN1CC(C)(C(O)(c2ccccc2)c2cncc(N3CCCC3)c2)C1.
What is the InChIKey of (1,3-dimethylazetidin-3-yl)-phenyl-(5-pyrrolidin-1-yl-3-pyridinyl)methanol?
The InChIKey is YIVDPNZPUJALQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-20(15-23(2)16-20)21(25,17-8-4-3-5-9-17)18-12-19(14-22-13-18)24-10-6-7-11-24/h3-5,8-9,12-14,25H,6-7,10-11,15-16H2,1-2H3.
What are the key properties of (1,3-dimethylazetidin-3-yl)-phenyl-(5-pyrrolidin-1-yl-3-pyridinyl)methanol?
(1,3-dimethylazetidin-3-yl)-phenyl-(5-pyrrolidin-1-yl-3-pyridinyl)methanol has a molecular weight of 337.47 g/mol, XLogP of 2.87, 4 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)-phenyl-(5-pyrrolidin-1-yl-3-pyridinyl)methanol is sourced from PubChem (CID 157026032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).