[2-(6-chloro-2-cyclopropylpyrimidin-4-yl)-5-fluorophenyl]-(3-fluoroazetidin-1-yl)methanone

C17H14ClF2N3O — CID 172581072

IUPAC[2-(6-chloro-2-cyclopropylpyrimidin-4-yl)-5-fluorophenyl]-(3-fluoroazetidin-1-yl)methanone
SMILESO=C(c1cc(F)ccc1-c1cc(Cl)nc(C2CC2)n1)N1CC(F)C1
InChIInChI=1S/C17H14ClF2N3O/c18-15-6-14(21-16(22-15)9-1-2-9)12-4-3-10(19)5-13(12)17(24)23-7-11(20)8-23/h3-6,9,11H,1-2,7-8H2
InChIKeyWXRLYVYTWOTFSX-UHFFFAOYSA-N
MW349.77 g/mol
LogP3.61
Rot. Bonds3

About [2-(6-chloro-2-cyclopropylpyrimidin-4-yl)-5-fluorophenyl]-(3-fluoroazetidin-1-yl)methanone

[2-(6-chloro-2-cyclopropylpyrimidin-4-yl)-5-fluorophenyl]-(3-fluoroazetidin-1-yl)methanone (PubChem CID 172581072) has the molecular formula C17H14ClF2N3O and a molecular weight of 349.77 g/mol. Its IUPAC name is [2-(6-chloro-2-cyclopropylpyrimidin-4-yl)-5-fluorophenyl]-(3-fluoroazetidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(6-chloro-2-cyclopropylpyrimidin-4-yl)-5-fluorophenyl]-(3-fluoroazetidin-1-yl)methanone
PubChem CID172581072
Molecular FormulaC17H14ClF2N3O
Molecular Weight349.77 g/mol
Exact Mass349.08
IUPAC Name[2-(6-chloro-2-cyclopropylpyrimidin-4-yl)-5-fluorophenyl]-(3-fluoroazetidin-1-yl)methanone
SMILESO=C(c1cc(F)ccc1-c1cc(Cl)nc(C2CC2)n1)N1CC(F)C1
InChIInChI=1S/C17H14ClF2N3O/c18-15-6-14(21-16(22-15)9-1-2-9)12-4-3-10(19)5-13(12)17(24)23-7-11(20)8-23/h3-6,9,11H,1-2,7-8H2
InChIKeyWXRLYVYTWOTFSX-UHFFFAOYSA-N
XLogP3.61
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(6-chloro-2-cyclopropylpyrimidin-4-yl)-5-fluorophenyl]-(3-fluoroazetidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-cyclopropyl-6-(3,5-difluorophenyl)pyrimidine
CID 80952148
(2-chloro-4-fluorophenyl)-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 53192419
2-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-6-(piperidin-1-ylmethyl)-3H-isoindol-1-one
CID 172580982
4-chloro-2-cyclopropyl-6-(2,5-difluorophenoxy)pyrimidine
CID 80948580
2-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-6-(piperidin-1-ylmethyl)-3H-isoindol-1-one;ethane
CID 172580981
3-chloro-6-[6-cyclopropyl-4-[4-fluoro-2-(3-fluoroazetidine-1-carbonyl)phenyl]-2-pyridinyl]-7-oxo-2-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-4-carbonitrile
CID 172580934
2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide
CID 133476266
4-chloro-2-cyclopropyl-6-(3-fluoropiperidin-1-yl)pyrimidine
CID 121200880
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[5-fluoro-2-[3-(trifluoromethyl)phenyl]phenyl]methanone;hydrochloride
CID 120658295
1-(5-fluoro-2-hydroxybenzoyl)azetidine-3-carboxylic acid
CID 115298536
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-bromo-4-fluorophenyl)methanone
CID 114042340
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-fluoro-2-methylphenyl)methanone
CID 66211217

Frequently Asked Questions

What is the IUPAC name of [2-(6-chloro-2-cyclopropylpyrimidin-4-yl)-5-fluorophenyl]-(3-fluoroazetidin-1-yl)methanone?
The IUPAC name of [2-(6-chloro-2-cyclopropylpyrimidin-4-yl)-5-fluorophenyl]-(3-fluoroazetidin-1-yl)methanone (CID 172581072) is [2-(6-chloro-2-cyclopropylpyrimidin-4-yl)-5-fluorophenyl]-(3-fluoroazetidin-1-yl)methanone.
What is the SMILES notation for [2-(6-chloro-2-cyclopropylpyrimidin-4-yl)-5-fluorophenyl]-(3-fluoroazetidin-1-yl)methanone?
The canonical SMILES for [2-(6-chloro-2-cyclopropylpyrimidin-4-yl)-5-fluorophenyl]-(3-fluoroazetidin-1-yl)methanone is O=C(c1cc(F)ccc1-c1cc(Cl)nc(C2CC2)n1)N1CC(F)C1.
What is the InChIKey of [2-(6-chloro-2-cyclopropylpyrimidin-4-yl)-5-fluorophenyl]-(3-fluoroazetidin-1-yl)methanone?
The InChIKey is WXRLYVYTWOTFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N3O/c18-15-6-14(21-16(22-15)9-1-2-9)12-4-3-10(19)5-13(12)17(24)23-7-11(20)8-23/h3-6,9,11H,1-2,7-8H2.
What are the key properties of [2-(6-chloro-2-cyclopropylpyrimidin-4-yl)-5-fluorophenyl]-(3-fluoroazetidin-1-yl)methanone?
[2-(6-chloro-2-cyclopropylpyrimidin-4-yl)-5-fluorophenyl]-(3-fluoroazetidin-1-yl)methanone has a molecular weight of 349.77 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-chloro-2-cyclopropylpyrimidin-4-yl)-5-fluorophenyl]-(3-fluoroazetidin-1-yl)methanone is sourced from PubChem (CID 172581072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).