(2-fluorophenyl)-[1-methyl-5-(3-methyl-3-pyridin-2-ylazetidine-1-carbonyl)pyrrol-2-yl]methanone

C22H20FN3O2 — CID 164595766

IUPAC(2-fluorophenyl)-[1-methyl-5-(3-methyl-3-pyridin-2-ylazetidine-1-carbonyl)pyrrol-2-yl]methanone
SMILESCn1c(C(=O)c2ccccc2F)ccc1C(=O)N1CC(C)(c2ccccn2)C1
InChIInChI=1S/C22H20FN3O2/c1-22(19-9-5-6-12-24-19)13-26(14-22)21(28)18-11-10-17(25(18)2)20(27)15-7-3-4-8-16(15)23/h3-12H,13-14H2,1-2H3
InChIKeyYWKAYYNVVXLTGH-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.20
Rot. Bonds4

About (2-fluorophenyl)-[1-methyl-5-(3-methyl-3-pyridin-2-ylazetidine-1-carbonyl)pyrrol-2-yl]methanone

(2-fluorophenyl)-[1-methyl-5-(3-methyl-3-pyridin-2-ylazetidine-1-carbonyl)pyrrol-2-yl]methanone (PubChem CID 164595766) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is (2-fluorophenyl)-[1-methyl-5-(3-methyl-3-pyridin-2-ylazetidine-1-carbonyl)pyrrol-2-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[1-methyl-5-(3-methyl-3-pyridin-2-ylazetidine-1-carbonyl)pyrrol-2-yl]methanone
PubChem CID164595766
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name(2-fluorophenyl)-[1-methyl-5-(3-methyl-3-pyridin-2-ylazetidine-1-carbonyl)pyrrol-2-yl]methanone
SMILESCn1c(C(=O)c2ccccc2F)ccc1C(=O)N1CC(C)(c2ccccn2)C1
InChIInChI=1S/C22H20FN3O2/c1-22(19-9-5-6-12-24-19)13-26(14-22)21(28)18-11-10-17(25(18)2)20(27)15-7-3-4-8-16(15)23/h3-12H,13-14H2,1-2H3
InChIKeyYWKAYYNVVXLTGH-UHFFFAOYSA-N
XLogP3.20
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-fluorobenzoyl)-1-methylpyrrole-2-carboxylic acid
CID 84728759
5-(2-fluorobenzoyl)-1-methyl-N-pyridin-3-ylpyrrole-2-carboxamide
CID 164595730
(2-fluorophenyl)-(2-hydroxypyrazol-3-yl)methanone
CID 101167756
2-fluoro-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821143
2-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397164
2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyridine-3-carboxylic acid
CID 102743092
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
(2-fluorophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
CID 135025205
5-(2-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carbonitrile
CID 21331553
(2,4-difluorophenyl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone
CID 16668261
5-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-1-methylpyrazole-4-carboxylic acid
CID 29095767
(2-chloro-3-pyridinyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 106812646

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[1-methyl-5-(3-methyl-3-pyridin-2-ylazetidine-1-carbonyl)pyrrol-2-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[1-methyl-5-(3-methyl-3-pyridin-2-ylazetidine-1-carbonyl)pyrrol-2-yl]methanone (CID 164595766) is (2-fluorophenyl)-[1-methyl-5-(3-methyl-3-pyridin-2-ylazetidine-1-carbonyl)pyrrol-2-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[1-methyl-5-(3-methyl-3-pyridin-2-ylazetidine-1-carbonyl)pyrrol-2-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[1-methyl-5-(3-methyl-3-pyridin-2-ylazetidine-1-carbonyl)pyrrol-2-yl]methanone is Cn1c(C(=O)c2ccccc2F)ccc1C(=O)N1CC(C)(c2ccccn2)C1.
What is the InChIKey of (2-fluorophenyl)-[1-methyl-5-(3-methyl-3-pyridin-2-ylazetidine-1-carbonyl)pyrrol-2-yl]methanone?
The InChIKey is YWKAYYNVVXLTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-22(19-9-5-6-12-24-19)13-26(14-22)21(28)18-11-10-17(25(18)2)20(27)15-7-3-4-8-16(15)23/h3-12H,13-14H2,1-2H3.
What are the key properties of (2-fluorophenyl)-[1-methyl-5-(3-methyl-3-pyridin-2-ylazetidine-1-carbonyl)pyrrol-2-yl]methanone?
(2-fluorophenyl)-[1-methyl-5-(3-methyl-3-pyridin-2-ylazetidine-1-carbonyl)pyrrol-2-yl]methanone has a molecular weight of 377.42 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[1-methyl-5-(3-methyl-3-pyridin-2-ylazetidine-1-carbonyl)pyrrol-2-yl]methanone is sourced from PubChem (CID 164595766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).