[3-chloro-1-(6-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone

C18H17ClFN5O — CID 156811253

IUPAC[3-chloro-1-(6-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone
SMILESCc1cncc(-n2cc(Cl)c3cc(C(=O)N4CCC(F)CC4)cnc32)n1
InChIInChI=1S/C18H17ClFN5O/c1-11-7-21-9-16(23-11)25-10-15(19)14-6-12(8-22-17(14)25)18(26)24-4-2-13(20)3-5-24/h6-10,13H,2-5H2,1H3
InChIKeyCBRLBWKEBZPFTB-UHFFFAOYSA-N
MW373.82 g/mol
LogP3.35
Rot. Bonds2

About [3-chloro-1-(6-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone

[3-chloro-1-(6-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone (PubChem CID 156811253) has the molecular formula C18H17ClFN5O and a molecular weight of 373.82 g/mol. Its IUPAC name is [3-chloro-1-(6-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-chloro-1-(6-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone
PubChem CID156811253
Molecular FormulaC18H17ClFN5O
Molecular Weight373.82 g/mol
Exact Mass373.11
IUPAC Name[3-chloro-1-(6-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone
SMILESCc1cncc(-n2cc(Cl)c3cc(C(=O)N4CCC(F)CC4)cnc32)n1
InChIInChI=1S/C18H17ClFN5O/c1-11-7-21-9-16(23-11)25-10-15(19)14-6-12(8-22-17(14)25)18(26)24-4-2-13(20)3-5-24/h6-10,13H,2-5H2,1H3
InChIKeyCBRLBWKEBZPFTB-UHFFFAOYSA-N
XLogP3.35
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-1-(6-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone?
The IUPAC name of [3-chloro-1-(6-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone (CID 156811253) is [3-chloro-1-(6-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone.
What is the SMILES notation for [3-chloro-1-(6-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone?
The canonical SMILES for [3-chloro-1-(6-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone is Cc1cncc(-n2cc(Cl)c3cc(C(=O)N4CCC(F)CC4)cnc32)n1.
What is the InChIKey of [3-chloro-1-(6-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone?
The InChIKey is CBRLBWKEBZPFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN5O/c1-11-7-21-9-16(23-11)25-10-15(19)14-6-12(8-22-17(14)25)18(26)24-4-2-13(20)3-5-24/h6-10,13H,2-5H2,1H3.
What are the key properties of [3-chloro-1-(6-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone?
[3-chloro-1-(6-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone has a molecular weight of 373.82 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-1-(6-methylpyrazin-2-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone is sourced from PubChem (CID 156811253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).