(4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridin-5-yl]methanone

C21H22FN3O2 — CID 170530613

IUPAC(4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridin-5-yl]methanone
SMILESCOc1ccc(-n2cc(C)c3cc(C(=O)N4CCC(F)CC4)cnc32)cc1
InChIInChI=1S/C21H22FN3O2/c1-14-13-25(17-3-5-18(27-2)6-4-17)20-19(14)11-15(12-23-20)21(26)24-9-7-16(22)8-10-24/h3-6,11-13,16H,7-10H2,1-2H3
InChIKeyCENFVVGYCHVJIG-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.92
Rot. Bonds3

About (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridin-5-yl]methanone

(4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridin-5-yl]methanone (PubChem CID 170530613) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridin-5-yl]methanone
PubChem CID170530613
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name(4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridin-5-yl]methanone
SMILESCOc1ccc(-n2cc(C)c3cc(C(=O)N4CCC(F)CC4)cnc32)cc1
InChIInChI=1S/C21H22FN3O2/c1-14-13-25(17-3-5-18(27-2)6-4-17)20-19(14)11-15(12-23-20)21(26)24-9-7-16(22)8-10-24/h3-6,11-13,16H,7-10H2,1-2H3
InChIKeyCENFVVGYCHVJIG-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-ethyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone
CID 156810884
4-[3-chloro-5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide
CID 156811062
4-[3-chloro-5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzaldehyde
CID 163261052
4-[3-chloro-5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;4-[3-chloro-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide
CID 175337540
[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 156811184
(3-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone
CID 156811309
5-[5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-2-carboxamide
CID 156811048
4-[5-[(3S)-3-fluoropyrrolidine-1-carbonyl]pyrrolo[2,3-b]pyridin-1-yl]benzoic acid
CID 167082153
1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridine
CID 102389456
5-[5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]-3,4-dihydropyridine-2-carboxamide
CID 156810894
[3-[3-(difluoromethoxy)phenyl]imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone
CID 164780332
[3-chloro-1-(4-isocyanophenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4,4-dimethylpiperidin-1-yl)methanone
CID 164983105

Frequently Asked Questions

What is the IUPAC name of (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridin-5-yl]methanone?
The IUPAC name of (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridin-5-yl]methanone (CID 170530613) is (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridin-5-yl]methanone.
What is the SMILES notation for (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridin-5-yl]methanone?
The canonical SMILES for (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridin-5-yl]methanone is COc1ccc(-n2cc(C)c3cc(C(=O)N4CCC(F)CC4)cnc32)cc1.
What is the InChIKey of (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridin-5-yl]methanone?
The InChIKey is CENFVVGYCHVJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-14-13-25(17-3-5-18(27-2)6-4-17)20-19(14)11-15(12-23-20)21(26)24-9-7-16(22)8-10-24/h3-6,11-13,16H,7-10H2,1-2H3.
What are the key properties of (4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridin-5-yl]methanone?
(4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridin-5-yl]methanone has a molecular weight of 367.42 g/mol, XLogP of 3.92, 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)-[1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridin-5-yl]methanone is sourced from PubChem (CID 170530613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).