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

C35H35FN8O2 — CID 137135602

IUPAC7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
SMILESFc1cc(OCCN2CCCC2)cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(OC7CCNCC7)c6)cc45)[nH]c23)c1
InChIInChI=1S/C35H35FN8O2/c36-25-15-23(16-27(19-25)45-14-13-44-11-1-2-12-44)29-7-10-39-34-32(29)40-35(41-34)33-30-18-22(3-4-31(30)42-43-33)24-17-28(21-38-20-24)46-26-5-8-37-9-6-26/h3-4,7,10,15-21,26,37H,1-2,5-6,8-9,11-14H2,(H,42,43)(H,39,40,41)
InChIKeyFDGFGVGSFKNOKI-UHFFFAOYSA-N
MW618.72 g/mol
LogP5.97
Rot. Bonds9

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

7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 137135602) has the molecular formula C35H35FN8O2 and a molecular weight of 618.72 g/mol. Its IUPAC name is 7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
PubChem CID137135602
Molecular FormulaC35H35FN8O2
Molecular Weight618.72 g/mol
Exact Mass618.29
IUPAC Name7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine
SMILESFc1cc(OCCN2CCCC2)cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(OC7CCNCC7)c6)cc45)[nH]c23)c1
InChIInChI=1S/C35H35FN8O2/c36-25-15-23(16-27(19-25)45-14-13-44-11-1-2-12-44)29-7-10-39-34-32(29)40-35(41-34)33-30-18-22(3-4-31(30)42-43-33)24-17-28(21-38-20-24)46-26-5-8-37-9-6-26/h3-4,7,10,15-21,26,37H,1-2,5-6,8-9,11-14H2,(H,42,43)(H,39,40,41)
InChIKeyFDGFGVGSFKNOKI-UHFFFAOYSA-N
XLogP5.97
TPSA116.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.72
LogP ≤ 55.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine (CID 137135602) is 7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine is Fc1cc(OCCN2CCCC2)cc(-c2ccnc3nc(-c4n[nH]c5ccc(-c6cncc(OC7CCNCC7)c6)cc45)[nH]c23)c1.
What is the InChIKey of 7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is FDGFGVGSFKNOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35FN8O2/c36-25-15-23(16-27(19-25)45-14-13-44-11-1-2-12-44)29-7-10-39-34-32(29)40-35(41-34)33-30-18-22(3-4-31(30)42-43-33)24-17-28(21-38-20-24)46-26-5-8-37-9-6-26/h3-4,7,10,15-21,26,37H,1-2,5-6,8-9,11-14H2,(H,42,43)(H,39,40,41).
What are the key properties of 7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine?
7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 618.72 g/mol, XLogP of 5.97, 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-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137135602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).