3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine

C35H36FN9O — CID 137245444

IUPAC3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
SMILESFc1cc(OCCN2CCCC2)cc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(CC7CCNCC7)c6)cc45)[nH]c23)c1
InChIInChI=1S/C35H36FN9O/c36-26-15-24(16-27(17-26)46-12-11-45-9-1-2-10-45)28-5-8-39-34-32(28)41-35(42-34)33-29-18-30(40-21-31(29)43-44-33)25-14-23(19-38-20-25)13-22-3-6-37-7-4-22/h5,8,14-22,37H,1-4,6-7,9-13H2,(H,43,44)(H,39,41,42)
InChIKeyGYKNDIIWKWSCDI-UHFFFAOYSA-N
MW617.73 g/mol
LogP5.78
Rot. Bonds9

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

3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 137245444) has the molecular formula C35H36FN9O and a molecular weight of 617.73 g/mol. Its IUPAC name is 3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
PubChem CID137245444
Molecular FormulaC35H36FN9O
Molecular Weight617.73 g/mol
Exact Mass617.30
IUPAC Name3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
SMILESFc1cc(OCCN2CCCC2)cc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(CC7CCNCC7)c6)cc45)[nH]c23)c1
InChIInChI=1S/C35H36FN9O/c36-26-15-24(16-27(17-26)46-12-11-45-9-1-2-10-45)28-5-8-39-34-32(28)41-35(42-34)33-29-18-30(40-21-31(29)43-44-33)25-14-23(19-38-20-25)13-22-3-6-37-7-4-22/h5,8,14-22,37H,1-4,6-7,9-13H2,(H,43,44)(H,39,41,42)
InChIKeyGYKNDIIWKWSCDI-UHFFFAOYSA-N
XLogP5.78
TPSA120.53 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.73
LogP ≤ 55.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]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 3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (CID 137245444) is 3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is Fc1cc(OCCN2CCCC2)cc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(CC7CCNCC7)c6)cc45)[nH]c23)c1.
What is the InChIKey of 3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is GYKNDIIWKWSCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36FN9O/c36-26-15-24(16-27(17-26)46-12-11-45-9-1-2-10-45)28-5-8-39-34-32(28)41-35(42-34)33-29-18-30(40-21-31(29)43-44-33)25-14-23(19-38-20-25)13-22-3-6-37-7-4-22/h5,8,14-22,37H,1-4,6-7,9-13H2,(H,43,44)(H,39,41,42).
What are the key properties of 3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 617.73 g/mol, XLogP of 5.78, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 137245444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).