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

C20H19ClFN3O2 — CID 156811271

IUPAC[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone
SMILESCOc1ccc(-n2cc(Cl)c3cc(C(=O)N4CCC(F)CC4)cnc32)cc1
InChIInChI=1S/C20H19ClFN3O2/c1-27-16-4-2-15(3-5-16)25-12-18(21)17-10-13(11-23-19(17)25)20(26)24-8-6-14(22)7-9-24/h2-5,10-12,14H,6-9H2,1H3
InChIKeyKKCJUJWPZCVRMZ-UHFFFAOYSA-N
MW387.84 g/mol
LogP4.26
Rot. Bonds3

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

[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone (PubChem CID 156811271) has the molecular formula C20H19ClFN3O2 and a molecular weight of 387.84 g/mol. Its IUPAC name is [3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone
PubChem CID156811271
Molecular FormulaC20H19ClFN3O2
Molecular Weight387.84 g/mol
Exact Mass387.11
IUPAC Name[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone
SMILESCOc1ccc(-n2cc(Cl)c3cc(C(=O)N4CCC(F)CC4)cnc32)cc1
InChIInChI=1S/C20H19ClFN3O2/c1-27-16-4-2-15(3-5-16)25-12-18(21)17-10-13(11-23-19(17)25)20(26)24-8-6-14(22)7-9-24/h2-5,10-12,14H,6-9H2,1H3
InChIKeyKKCJUJWPZCVRMZ-UHFFFAOYSA-N
XLogP4.26
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.84
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone?
The IUPAC name of [3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone (CID 156811271) is [3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone.
What is the SMILES notation for [3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone?
The canonical SMILES for [3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone is COc1ccc(-n2cc(Cl)c3cc(C(=O)N4CCC(F)CC4)cnc32)cc1.
What is the InChIKey of [3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone?
The InChIKey is KKCJUJWPZCVRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN3O2/c1-27-16-4-2-15(3-5-16)25-12-18(21)17-10-13(11-23-19(17)25)20(26)24-8-6-14(22)7-9-24/h2-5,10-12,14H,6-9H2,1H3.
What are the key properties of [3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone?
[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone has a molecular weight of 387.84 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone is sourced from PubChem (CID 156811271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).