(4-fluoropiperidin-1-yl)-[3-(3-methoxyphenyl)-1-methylpyrrolo[3,2-b]pyridin-6-yl]methanone

C21H22FN3O2 — CID 156810869

IUPAC(4-fluoropiperidin-1-yl)-[3-(3-methoxyphenyl)-1-methylpyrrolo[3,2-b]pyridin-6-yl]methanone
SMILESCOc1cccc(-c2cn(C)c3cc(C(=O)N4CCC(F)CC4)cnc23)c1
InChIInChI=1S/C21H22FN3O2/c1-24-13-18(14-4-3-5-17(10-14)27-2)20-19(24)11-15(12-23-20)21(26)25-8-6-16(22)7-9-25/h3-5,10-13,16H,6-9H2,1-2H3
InChIKeyMGQWMWFWPAGBAK-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.82
Rot. Bonds3

About (4-fluoropiperidin-1-yl)-[3-(3-methoxyphenyl)-1-methylpyrrolo[3,2-b]pyridin-6-yl]methanone

(4-fluoropiperidin-1-yl)-[3-(3-methoxyphenyl)-1-methylpyrrolo[3,2-b]pyridin-6-yl]methanone (PubChem CID 156810869) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is (4-fluoropiperidin-1-yl)-[3-(3-methoxyphenyl)-1-methylpyrrolo[3,2-b]pyridin-6-yl]methanone.

Molecular Properties

Compound Name(4-fluoropiperidin-1-yl)-[3-(3-methoxyphenyl)-1-methylpyrrolo[3,2-b]pyridin-6-yl]methanone
PubChem CID156810869
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name(4-fluoropiperidin-1-yl)-[3-(3-methoxyphenyl)-1-methylpyrrolo[3,2-b]pyridin-6-yl]methanone
SMILESCOc1cccc(-c2cn(C)c3cc(C(=O)N4CCC(F)CC4)cnc23)c1
InChIInChI=1S/C21H22FN3O2/c1-24-13-18(14-4-3-5-17(10-14)27-2)20-19(24)11-15(12-23-20)21(26)25-8-6-16(22)7-9-25/h3-5,10-13,16H,6-9H2,1-2H3
InChIKeyMGQWMWFWPAGBAK-UHFFFAOYSA-N
XLogP3.82
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluoropiperidin-1-yl)-[3-(3-methoxyphenyl)-1-methylpyrrolo[3,2-b]pyridin-6-yl]methanone?
The IUPAC name of (4-fluoropiperidin-1-yl)-[3-(3-methoxyphenyl)-1-methylpyrrolo[3,2-b]pyridin-6-yl]methanone (CID 156810869) is (4-fluoropiperidin-1-yl)-[3-(3-methoxyphenyl)-1-methylpyrrolo[3,2-b]pyridin-6-yl]methanone.
What is the SMILES notation for (4-fluoropiperidin-1-yl)-[3-(3-methoxyphenyl)-1-methylpyrrolo[3,2-b]pyridin-6-yl]methanone?
The canonical SMILES for (4-fluoropiperidin-1-yl)-[3-(3-methoxyphenyl)-1-methylpyrrolo[3,2-b]pyridin-6-yl]methanone is COc1cccc(-c2cn(C)c3cc(C(=O)N4CCC(F)CC4)cnc23)c1.
What is the InChIKey of (4-fluoropiperidin-1-yl)-[3-(3-methoxyphenyl)-1-methylpyrrolo[3,2-b]pyridin-6-yl]methanone?
The InChIKey is MGQWMWFWPAGBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-24-13-18(14-4-3-5-17(10-14)27-2)20-19(24)11-15(12-23-20)21(26)25-8-6-16(22)7-9-25/h3-5,10-13,16H,6-9H2,1-2H3.
What are the key properties of (4-fluoropiperidin-1-yl)-[3-(3-methoxyphenyl)-1-methylpyrrolo[3,2-b]pyridin-6-yl]methanone?
(4-fluoropiperidin-1-yl)-[3-(3-methoxyphenyl)-1-methylpyrrolo[3,2-b]pyridin-6-yl]methanone has a molecular weight of 367.42 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoropiperidin-1-yl)-[3-(3-methoxyphenyl)-1-methylpyrrolo[3,2-b]pyridin-6-yl]methanone is sourced from PubChem (CID 156810869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).