[1-(5-chloro-6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone

C17H14ClFN4O2 — CID 148928719

IUPAC[1-(5-chloro-6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone
SMILESCOc1ncc(-n2c(C(=O)N3CC(F)C3)cc3cccnc32)cc1Cl
InChIInChI=1S/C17H14ClFN4O2/c1-25-16-13(18)6-12(7-21-16)23-14(17(24)22-8-11(19)9-22)5-10-3-2-4-20-15(10)23/h2-7,11H,8-9H2,1H3
InChIKeyPLMXLCVILHGCKF-UHFFFAOYSA-N
MW360.78 g/mol
LogP2.88
Rot. Bonds3

About [1-(5-chloro-6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone

[1-(5-chloro-6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone (PubChem CID 148928719) has the molecular formula C17H14ClFN4O2 and a molecular weight of 360.78 g/mol. Its IUPAC name is [1-(5-chloro-6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(5-chloro-6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone
PubChem CID148928719
Molecular FormulaC17H14ClFN4O2
Molecular Weight360.78 g/mol
Exact Mass360.08
IUPAC Name[1-(5-chloro-6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone
SMILESCOc1ncc(-n2c(C(=O)N3CC(F)C3)cc3cccnc32)cc1Cl
InChIInChI=1S/C17H14ClFN4O2/c1-25-16-13(18)6-12(7-21-16)23-14(17(24)22-8-11(19)9-22)5-10-3-2-4-20-15(10)23/h2-7,11H,8-9H2,1H3
InChIKeyPLMXLCVILHGCKF-UHFFFAOYSA-N
XLogP2.88
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.78
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[2-(4-Chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(trifluoromethyloxy)pyridin-2-yl]methanone
CID 129225985
[1-(3,5-Difluoro-4-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone
CID 152792091
US10759794, Example 68
CID 129216370
US10759794, Example 38
CID 129225881
US10759794, Example 44
CID 129225888
US10759794, Example 27
CID 129225971
[3-Chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone
CID 156811271
(4-Fluoropiperidin-1-yl)-[1-(6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone
CID 156811338
3-[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]-1-methyl-N-methylsulfonylpyrrolo[2,3-b]pyridine-6-carboxamide
CID 155530233
N-[1-(5-chloro-2-methoxy-4-pyridinyl)azetidin-3-yl]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxamide
CID 156017590
(3-Fluoroazetidin-1-yl)-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanone
CID 153563233
(3-Fluoroazetidin-1-yl)-[1-(3-fluoro-4-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]methanone
CID 162653979

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone?
The IUPAC name of [1-(5-chloro-6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone (CID 148928719) is [1-(5-chloro-6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone.
What is the SMILES notation for [1-(5-chloro-6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone?
The canonical SMILES for [1-(5-chloro-6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone is COc1ncc(-n2c(C(=O)N3CC(F)C3)cc3cccnc32)cc1Cl.
What is the InChIKey of [1-(5-chloro-6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone?
The InChIKey is PLMXLCVILHGCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O2/c1-25-16-13(18)6-12(7-21-16)23-14(17(24)22-8-11(19)9-22)5-10-3-2-4-20-15(10)23/h2-7,11H,8-9H2,1H3.
What are the key properties of [1-(5-chloro-6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone?
[1-(5-chloro-6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone has a molecular weight of 360.78 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-6-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone is sourced from PubChem (CID 148928719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).