1-cyclopropyl-4-[1-(1H-indole-5-carbonyl)azetidin-3-yl]oxy-6-methylpyridin-2-one

C21H21N3O3 — CID 121155971

IUPAC1-cyclopropyl-4-[1-(1H-indole-5-carbonyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
SMILESCc1cc(OC2CN(C(=O)c3ccc4[nH]ccc4c3)C2)cc(=O)n1C1CC1
InChIInChI=1S/C21H21N3O3/c1-13-8-17(10-20(25)24(13)16-3-4-16)27-18-11-23(12-18)21(26)15-2-5-19-14(9-15)6-7-22-19/h2,5-10,16,18,22H,3-4,11-12H2,1H3
InChIKeyUSUQZJWAFNKDIK-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.88
Rot. Bonds4

About 1-cyclopropyl-4-[1-(1H-indole-5-carbonyl)azetidin-3-yl]oxy-6-methylpyridin-2-one

1-cyclopropyl-4-[1-(1H-indole-5-carbonyl)azetidin-3-yl]oxy-6-methylpyridin-2-one (PubChem CID 121155971) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-cyclopropyl-4-[1-(1H-indole-5-carbonyl)azetidin-3-yl]oxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[1-(1H-indole-5-carbonyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
PubChem CID121155971
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name1-cyclopropyl-4-[1-(1H-indole-5-carbonyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
SMILESCc1cc(OC2CN(C(=O)c3ccc4[nH]ccc4c3)C2)cc(=O)n1C1CC1
InChIInChI=1S/C21H21N3O3/c1-13-8-17(10-20(25)24(13)16-3-4-16)27-18-11-23(12-18)21(26)15-2-5-19-14(9-15)6-7-22-19/h2,5-10,16,18,22H,3-4,11-12H2,1H3
InChIKeyUSUQZJWAFNKDIK-UHFFFAOYSA-N
XLogP2.88
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[1-(1H-indole-5-carbonyl)azetidin-3-yl]oxy-6-methylpyridin-2-one?
The IUPAC name of 1-cyclopropyl-4-[1-(1H-indole-5-carbonyl)azetidin-3-yl]oxy-6-methylpyridin-2-one (CID 121155971) is 1-cyclopropyl-4-[1-(1H-indole-5-carbonyl)azetidin-3-yl]oxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[1-(1H-indole-5-carbonyl)azetidin-3-yl]oxy-6-methylpyridin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[1-(1H-indole-5-carbonyl)azetidin-3-yl]oxy-6-methylpyridin-2-one is Cc1cc(OC2CN(C(=O)c3ccc4[nH]ccc4c3)C2)cc(=O)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-4-[1-(1H-indole-5-carbonyl)azetidin-3-yl]oxy-6-methylpyridin-2-one?
The InChIKey is USUQZJWAFNKDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-13-8-17(10-20(25)24(13)16-3-4-16)27-18-11-23(12-18)21(26)15-2-5-19-14(9-15)6-7-22-19/h2,5-10,16,18,22H,3-4,11-12H2,1H3.
What are the key properties of 1-cyclopropyl-4-[1-(1H-indole-5-carbonyl)azetidin-3-yl]oxy-6-methylpyridin-2-one?
1-cyclopropyl-4-[1-(1H-indole-5-carbonyl)azetidin-3-yl]oxy-6-methylpyridin-2-one has a molecular weight of 363.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[1-(1H-indole-5-carbonyl)azetidin-3-yl]oxy-6-methylpyridin-2-one is sourced from PubChem (CID 121155971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).