4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol

C18H17ClFN3O — CID 170437249

IUPAC4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol
SMILESOC1(c2ccc(-c3ccnc4[nH]cc(F)c34)cc2Cl)CCNCC1
InChIInChI=1S/C18H17ClFN3O/c19-14-9-11(1-2-13(14)18(24)4-7-21-8-5-18)12-3-6-22-17-16(12)15(20)10-23-17/h1-3,6,9-10,21,24H,4-5,7-8H2,(H,22,23)
InChIKeySHGQAYIQUZHSLZ-UHFFFAOYSA-N
MW345.81 g/mol
LogP3.59
Rot. Bonds2

About 4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol

4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol (PubChem CID 170437249) has the molecular formula C18H17ClFN3O and a molecular weight of 345.81 g/mol. Its IUPAC name is 4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol
PubChem CID170437249
Molecular FormulaC18H17ClFN3O
Molecular Weight345.81 g/mol
Exact Mass345.10
IUPAC Name4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol
SMILESOC1(c2ccc(-c3ccnc4[nH]cc(F)c34)cc2Cl)CCNCC1
InChIInChI=1S/C18H17ClFN3O/c19-14-9-11(1-2-13(14)18(24)4-7-21-8-5-18)12-3-6-22-17-16(12)15(20)10-23-17/h1-3,6,9-10,21,24H,4-5,7-8H2,(H,22,23)
InChIKeySHGQAYIQUZHSLZ-UHFFFAOYSA-N
XLogP3.59
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol 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 4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol?
The IUPAC name of 4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol (CID 170437249) is 4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol.
What is the SMILES notation for 4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol?
The canonical SMILES for 4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol is OC1(c2ccc(-c3ccnc4[nH]cc(F)c34)cc2Cl)CCNCC1.
What is the InChIKey of 4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol?
The InChIKey is SHGQAYIQUZHSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O/c19-14-9-11(1-2-13(14)18(24)4-7-21-8-5-18)12-3-6-22-17-16(12)15(20)10-23-17/h1-3,6,9-10,21,24H,4-5,7-8H2,(H,22,23).
What are the key properties of 4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol?
4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol has a molecular weight of 345.81 g/mol, XLogP of 3.59, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]piperidin-4-ol is sourced from PubChem (CID 170437249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).