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

C17H15ClFN5O — CID 156810736

IUPAC(3-chloro-1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone
SMILESO=C(c1cnc2c(c1)c(Cl)cn2-c1cncnc1)N1CCC(F)CC1
InChIInChI=1S/C17H15ClFN5O/c18-15-9-24(13-7-20-10-21-8-13)16-14(15)5-11(6-22-16)17(25)23-3-1-12(19)2-4-23/h5-10,12H,1-4H2
InChIKeyOYMDKZVATDHYDI-UHFFFAOYSA-N
MW359.79 g/mol
LogP3.04
Rot. Bonds2

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

(3-chloro-1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone (PubChem CID 156810736) has the molecular formula C17H15ClFN5O and a molecular weight of 359.79 g/mol. Its IUPAC name is (3-chloro-1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone
PubChem CID156810736
Molecular FormulaC17H15ClFN5O
Molecular Weight359.79 g/mol
Exact Mass359.09
IUPAC Name(3-chloro-1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone
SMILESO=C(c1cnc2c(c1)c(Cl)cn2-c1cncnc1)N1CCC(F)CC1
InChIInChI=1S/C17H15ClFN5O/c18-15-9-24(13-7-20-10-21-8-13)16-14(15)5-11(6-22-16)17(25)23-3-1-12(19)2-4-23/h5-10,12H,1-4H2
InChIKeyOYMDKZVATDHYDI-UHFFFAOYSA-N
XLogP3.04
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-chloro-1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-chloro-1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone?
The IUPAC name of (3-chloro-1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone (CID 156810736) is (3-chloro-1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone.
What is the SMILES notation for (3-chloro-1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone?
The canonical SMILES for (3-chloro-1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone is O=C(c1cnc2c(c1)c(Cl)cn2-c1cncnc1)N1CCC(F)CC1.
What is the InChIKey of (3-chloro-1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone?
The InChIKey is OYMDKZVATDHYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN5O/c18-15-9-24(13-7-20-10-21-8-13)16-14(15)5-11(6-22-16)17(25)23-3-1-12(19)2-4-23/h5-10,12H,1-4H2.
What are the key properties of (3-chloro-1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone?
(3-chloro-1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone has a molecular weight of 359.79 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-fluoropiperidin-1-yl)methanone is sourced from PubChem (CID 156810736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).