(1,5-dimethylpyrazol-3-yl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone

C20H27N5O2 — CID 171142320

IUPAC(1,5-dimethylpyrazol-3-yl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone
SMILESCOC1CN(C2CCN(C(=O)c3cc(C)n(C)n3)CC2)C1c1ccncc1
InChIInChI=1S/C20H27N5O2/c1-14-12-17(22-23(14)2)20(26)24-10-6-16(7-11-24)25-13-18(27-3)19(25)15-4-8-21-9-5-15/h4-5,8-9,12,16,18-19H,6-7,10-11,13H2,1-3H3
InChIKeyYFVLNEVNUWZQDT-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.80
Rot. Bonds4

About (1,5-dimethylpyrazol-3-yl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone

(1,5-dimethylpyrazol-3-yl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone (PubChem CID 171142320) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-3-yl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-3-yl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone
PubChem CID171142320
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name(1,5-dimethylpyrazol-3-yl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone
SMILESCOC1CN(C2CCN(C(=O)c3cc(C)n(C)n3)CC2)C1c1ccncc1
InChIInChI=1S/C20H27N5O2/c1-14-12-17(22-23(14)2)20(26)24-10-6-16(7-11-24)25-13-18(27-3)19(25)15-4-8-21-9-5-15/h4-5,8-9,12,16,18-19H,6-7,10-11,13H2,1-3H3
InChIKeyYFVLNEVNUWZQDT-UHFFFAOYSA-N
XLogP1.80
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-fluoro-4-methoxyphenyl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone
CID 171142298
(3-chloropyrrolidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 130485656
3-(4-methoxyphenyl)-1-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]propan-1-one
CID 171142299
methyl 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetate
CID 169284591
(3R,4S)-3-methoxy-1-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one
CID 91911528
(1,5-dimethylpyrazol-3-yl)-[4-[(3S)-3-(2-methoxyethoxy)-1-azaspiro[3.5]nonan-1-yl]piperidin-1-yl]methanone
CID 164635962
4-(3-methoxy-1-piperidin-4-ylazetidin-2-yl)pyridine
CID 156610743
(1,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646076
(1,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646075
4-[3-methoxy-1-(1-propylsulfonylpiperidin-4-yl)azetidin-2-yl]pyridine
CID 171142333
[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 163348563
[4-(1-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone;hydrochloride
CID 119518635

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-3-yl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (1,5-dimethylpyrazol-3-yl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone (CID 171142320) is (1,5-dimethylpyrazol-3-yl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-3-yl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-3-yl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone is COC1CN(C2CCN(C(=O)c3cc(C)n(C)n3)CC2)C1c1ccncc1.
What is the InChIKey of (1,5-dimethylpyrazol-3-yl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone?
The InChIKey is YFVLNEVNUWZQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14-12-17(22-23(14)2)20(26)24-10-6-16(7-11-24)25-13-18(27-3)19(25)15-4-8-21-9-5-15/h4-5,8-9,12,16,18-19H,6-7,10-11,13H2,1-3H3.
What are the key properties of (1,5-dimethylpyrazol-3-yl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone?
(1,5-dimethylpyrazol-3-yl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone has a molecular weight of 369.47 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-3-yl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 171142320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).