[3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone

C20H20ClN3O2 — CID 156811123

IUPAC[3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
SMILESCOc1cccc(-n2cc(Cl)c3cc(C(=O)N4CCCCC4)cnc32)c1
InChIInChI=1S/C20H20ClN3O2/c1-26-16-7-5-6-15(11-16)24-13-18(21)17-10-14(12-22-19(17)24)20(25)23-8-3-2-4-9-23/h5-7,10-13H,2-4,8-9H2,1H3
InChIKeyFABRMHQHJXNOIH-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.31
Rot. Bonds3

About [3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone

[3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone (PubChem CID 156811123) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is [3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
PubChem CID156811123
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name[3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
SMILESCOc1cccc(-n2cc(Cl)c3cc(C(=O)N4CCCCC4)cnc32)c1
InChIInChI=1S/C20H20ClN3O2/c1-26-16-7-5-6-15(11-16)24-13-18(21)17-10-14(12-22-19(17)24)20(25)23-8-3-2-4-9-23/h5-7,10-13H,2-4,8-9H2,1H3
InChIKeyFABRMHQHJXNOIH-UHFFFAOYSA-N
XLogP4.31
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone (CID 156811123) is [3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone is COc1cccc(-n2cc(Cl)c3cc(C(=O)N4CCCCC4)cnc32)c1.
What is the InChIKey of [3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
The InChIKey is FABRMHQHJXNOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-26-16-7-5-6-15(11-16)24-13-18(21)17-10-14(12-22-19(17)24)20(25)23-8-3-2-4-9-23/h5-7,10-13H,2-4,8-9H2,1H3.
What are the key properties of [3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
[3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone has a molecular weight of 369.85 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 156811123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).