7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-b]pyridine

C31H33FN8O2 — CID 136937326

IUPAC7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-b]pyridine
SMILESFc1cc(OCCN2CCCC2)cc(-c2ccnc3nc(-c4cc(-c5cncc(OC6CCNCC6)c5)n[nH]4)[nH]c23)c1
InChIInChI=1S/C31H33FN8O2/c32-22-13-20(14-24(16-22)41-12-11-40-9-1-2-10-40)26-5-8-35-31-29(26)36-30(37-31)28-17-27(38-39-28)21-15-25(19-34-18-21)42-23-3-6-33-7-4-23/h5,8,13-19,23,33H,1-4,6-7,9-12H2,(H,38,39)(H,35,36,37)
InChIKeyLYLAEMDTHCPJFH-UHFFFAOYSA-N
MW568.66 g/mol
LogP4.82
Rot. Bonds9

About 7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-b]pyridine

7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 136937326) has the molecular formula C31H33FN8O2 and a molecular weight of 568.66 g/mol. Its IUPAC name is 7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-b]pyridine
PubChem CID136937326
Molecular FormulaC31H33FN8O2
Molecular Weight568.66 g/mol
Exact Mass568.27
IUPAC Name7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-b]pyridine
SMILESFc1cc(OCCN2CCCC2)cc(-c2ccnc3nc(-c4cc(-c5cncc(OC6CCNCC6)c5)n[nH]4)[nH]c23)c1
InChIInChI=1S/C31H33FN8O2/c32-22-13-20(14-24(16-22)41-12-11-40-9-1-2-10-40)26-5-8-35-31-29(26)36-30(37-31)28-17-27(38-39-28)21-15-25(19-34-18-21)42-23-3-6-33-7-4-23/h5,8,13-19,23,33H,1-4,6-7,9-12H2,(H,38,39)(H,35,36,37)
InChIKeyLYLAEMDTHCPJFH-UHFFFAOYSA-N
XLogP4.82
TPSA116.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.66
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-b]pyridine 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 7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-b]pyridine (CID 136937326) is 7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-b]pyridine is Fc1cc(OCCN2CCCC2)cc(-c2ccnc3nc(-c4cc(-c5cncc(OC6CCNCC6)c5)n[nH]4)[nH]c23)c1.
What is the InChIKey of 7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is LYLAEMDTHCPJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33FN8O2/c32-22-13-20(14-24(16-22)41-12-11-40-9-1-2-10-40)26-5-8-35-31-29(26)36-30(37-31)28-17-27(38-39-28)21-15-25(19-34-18-21)42-23-3-6-33-7-4-23/h5,8,13-19,23,33H,1-4,6-7,9-12H2,(H,38,39)(H,35,36,37).
What are the key properties of 7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-b]pyridine?
7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 568.66 g/mol, XLogP of 4.82, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 136937326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).