2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propanoic acid

C22H24FN3O3 — CID 90419918

IUPAC2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propanoic acid
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(C(C)C(=O)O)CC3)cc12
InChIInChI=1S/C22H24FN3O3/c1-13(22(27)28)26-9-6-14(7-10-26)19-12-18-16(5-8-24-21(18)25-19)17-11-15(23)3-4-20(17)29-2/h3-5,8,11-14H,6-7,9-10H2,1-2H3,(H,24,25)(H,27,28)
InChIKeyINMQCXXSBUGLDS-UHFFFAOYSA-N
MW397.45 g/mol
LogP4.03
Rot. Bonds5

About 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propanoic acid

2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propanoic acid (PubChem CID 90419918) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propanoic acid
PubChem CID90419918
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propanoic acid
SMILESCOc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(C(C)C(=O)O)CC3)cc12
InChIInChI=1S/C22H24FN3O3/c1-13(22(27)28)26-9-6-14(7-10-26)19-12-18-16(5-8-24-21(18)25-19)17-11-15(23)3-4-20(17)29-2/h3-5,8,11-14H,6-7,9-10H2,1-2H3,(H,24,25)(H,27,28)
InChIKeyINMQCXXSBUGLDS-UHFFFAOYSA-N
XLogP4.03
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propanoic acid 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 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propanoic acid?
The IUPAC name of 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propanoic acid (CID 90419918) is 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propanoic acid is COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(C(C)C(=O)O)CC3)cc12.
What is the InChIKey of 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propanoic acid?
The InChIKey is INMQCXXSBUGLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-13(22(27)28)26-9-6-14(7-10-26)19-12-18-16(5-8-24-21(18)25-19)17-11-15(23)3-4-20(17)29-2/h3-5,8,11-14H,6-7,9-10H2,1-2H3,(H,24,25)(H,27,28).
What are the key properties of 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propanoic acid?
2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propanoic acid has a molecular weight of 397.45 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]propanoic acid is sourced from PubChem (CID 90419918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).