(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone

C18H17ClFN5O — CID 156811288

IUPAC(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone
SMILESCc1nc2c(cc1C(=O)N1CCC(F)CC1)c(Cl)cn2-c1cnccn1
InChIInChI=1S/C18H17ClFN5O/c1-11-13(18(26)24-6-2-12(20)3-7-24)8-14-15(19)10-25(17(14)23-11)16-9-21-4-5-22-16/h4-5,8-10,12H,2-3,6-7H2,1H3
InChIKeyCENYAVGIOBQETE-UHFFFAOYSA-N
MW373.82 g/mol
LogP3.35
Rot. Bonds2

About (3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone

(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone (PubChem CID 156811288) has the molecular formula C18H17ClFN5O and a molecular weight of 373.82 g/mol. Its IUPAC name is (3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone
PubChem CID156811288
Molecular FormulaC18H17ClFN5O
Molecular Weight373.82 g/mol
Exact Mass373.11
IUPAC Name(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone
SMILESCc1nc2c(cc1C(=O)N1CCC(F)CC1)c(Cl)cn2-c1cnccn1
InChIInChI=1S/C18H17ClFN5O/c1-11-13(18(26)24-6-2-12(20)3-7-24)8-14-15(19)10-25(17(14)23-11)16-9-21-4-5-22-16/h4-5,8-10,12H,2-3,6-7H2,1H3
InChIKeyCENYAVGIOBQETE-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-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone?
The IUPAC name of (3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone (CID 156811288) is (3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone.
What is the SMILES notation for (3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone?
The canonical SMILES for (3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone is Cc1nc2c(cc1C(=O)N1CCC(F)CC1)c(Cl)cn2-c1cnccn1.
What is the InChIKey of (3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone?
The InChIKey is CENYAVGIOBQETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN5O/c1-11-13(18(26)24-6-2-12(20)3-7-24)8-14-15(19)10-25(17(14)23-11)16-9-21-4-5-22-16/h4-5,8-10,12H,2-3,6-7H2,1H3.
What are the key properties of (3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone?
(3-chloro-6-methyl-1-pyrazin-2-ylpyrrolo[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-6-methyl-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone is sourced from PubChem (CID 156811288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).