[3-[4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-[4-(3-hydroxypropyl)-2-pyridinyl]methanone

C29H32N2O4 — CID 59633920

IUPAC[3-[4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-[4-(3-hydroxypropyl)-2-pyridinyl]methanone
SMILESCOc1cc(C2CN(C(=O)c3cc(CCCO)ccn3)C2)ccc1OCc1ccc(C2CC2)cc1
InChIInChI=1S/C29H32N2O4/c1-34-28-16-24(10-11-27(28)35-19-21-4-6-22(7-5-21)23-8-9-23)25-17-31(18-25)29(33)26-15-20(3-2-14-32)12-13-30-26/h4-7,10-13,15-16,23,25,32H,2-3,8-9,14,17-19H2,1H3
InChIKeyDATSTYBYLACFRA-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.71
Rot. Bonds10

About [3-[4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-[4-(3-hydroxypropyl)-2-pyridinyl]methanone

[3-[4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-[4-(3-hydroxypropyl)-2-pyridinyl]methanone (PubChem CID 59633920) has the molecular formula C29H32N2O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is [3-[4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-[4-(3-hydroxypropyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[3-[4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-[4-(3-hydroxypropyl)-2-pyridinyl]methanone
PubChem CID59633920
Molecular FormulaC29H32N2O4
Molecular Weight472.59 g/mol
Exact Mass472.24
IUPAC Name[3-[4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-[4-(3-hydroxypropyl)-2-pyridinyl]methanone
SMILESCOc1cc(C2CN(C(=O)c3cc(CCCO)ccn3)C2)ccc1OCc1ccc(C2CC2)cc1
InChIInChI=1S/C29H32N2O4/c1-34-28-16-24(10-11-27(28)35-19-21-4-6-22(7-5-21)23-8-9-23)25-17-31(18-25)29(33)26-15-20(3-2-14-32)12-13-30-26/h4-7,10-13,15-16,23,25,32H,2-3,8-9,14,17-19H2,1H3
InChIKeyDATSTYBYLACFRA-UHFFFAOYSA-N
XLogP4.71
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-[4-(3-hydroxypropyl)-2-pyridinyl]methanone with MolForge

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Related Compounds

[3-[4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-[4-[4-hydroxy-3-(hydroxymethyl)butoxy]-2-pyridinyl]methanone
CID 59634117
4-[[2-[3-[4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl]azetidine-1-carbonyl]-4-pyridinyl]oxy]-3-hydroxybutanoic acid
CID 59634058
[4-(1,3-dihydroxypropan-2-yl)-2-pyridinyl]-[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]methanone
CID 59634121
(2R,3S)-4-[[2-[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidine-1-carbonyl]-4-pyridinyl]oxy]-2,3-dihydroxybutanoic acid
CID 59634116
methyl 5-[[2-[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidine-1-carbonyl]-4-pyridinyl]oxy]-2,2-dimethylpentanoate
CID 59633995
[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-(5-methyl-2-pyridinyl)methanone
CID 59633916
[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]methanone
CID 59634027
[4-[2-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]ethoxy]-2-pyridinyl]-[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]methanone;2-[[2-[3-[4-[(4-ethylphenyl)methoxy]-3-methoxyphenyl]azetidine-1-carbonyl]-4-pyridinyl]oxy]ethyl methanesulfonate
CID 159198097
methyl 2-[(4-ethylphenyl)methoxy]-5-[1-(pyridine-2-carbonyl)azetidin-3-yl]benzoate
CID 59633925
4-[[2-[3-[3-methoxy-4-(spiro[4.4]non-3-en-3-ylmethoxy)phenyl]azetidine-1-carbonyl]-4-pyridinyl]oxy]butanoic acid
CID 59633950
4-[4-(4-methoxy-3-phenylmethoxyphenyl)-2-oxopyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 90976243
[(3S)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 42210448

Frequently Asked Questions

What is the IUPAC name of [3-[4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-[4-(3-hydroxypropyl)-2-pyridinyl]methanone?
The IUPAC name of [3-[4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-[4-(3-hydroxypropyl)-2-pyridinyl]methanone (CID 59633920) is [3-[4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-[4-(3-hydroxypropyl)-2-pyridinyl]methanone.
What is the SMILES notation for [3-[4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-[4-(3-hydroxypropyl)-2-pyridinyl]methanone?
The canonical SMILES for [3-[4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-[4-(3-hydroxypropyl)-2-pyridinyl]methanone is COc1cc(C2CN(C(=O)c3cc(CCCO)ccn3)C2)ccc1OCc1ccc(C2CC2)cc1.
What is the InChIKey of [3-[4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-[4-(3-hydroxypropyl)-2-pyridinyl]methanone?
The InChIKey is DATSTYBYLACFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O4/c1-34-28-16-24(10-11-27(28)35-19-21-4-6-22(7-5-21)23-8-9-23)25-17-31(18-25)29(33)26-15-20(3-2-14-32)12-13-30-26/h4-7,10-13,15-16,23,25,32H,2-3,8-9,14,17-19H2,1H3.
What are the key properties of [3-[4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-[4-(3-hydroxypropyl)-2-pyridinyl]methanone?
[3-[4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-[4-(3-hydroxypropyl)-2-pyridinyl]methanone has a molecular weight of 472.59 g/mol, XLogP of 4.71, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[(4-cyclopropylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-[4-(3-hydroxypropyl)-2-pyridinyl]methanone is sourced from PubChem (CID 59633920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).