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

C34H34FN9O2 — CID 136937424

IUPAC3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
SMILESFc1cc(OCCN2CCCC2)cc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(OC7CCNCC7)c6)cc45)[nH]c23)c1
InChIInChI=1S/C34H34FN9O2/c35-23-13-21(14-25(16-23)45-12-11-44-9-1-2-10-44)27-5-8-38-33-31(27)40-34(41-33)32-28-17-29(39-20-30(28)42-43-32)22-15-26(19-37-18-22)46-24-3-6-36-7-4-24/h5,8,13-20,24,36H,1-4,6-7,9-12H2,(H,42,43)(H,38,40,41)
InChIKeyBVUCTPGSJBGOFP-UHFFFAOYSA-N
MW619.71 g/mol
LogP5.37
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-yloxy-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-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 136937424) has the molecular formula C34H34FN9O2 and a molecular weight of 619.71 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-yloxy-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-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID136937424
Molecular FormulaC34H34FN9O2
Molecular Weight619.71 g/mol
Exact Mass619.28
IUPAC Name3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
SMILESFc1cc(OCCN2CCCC2)cc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(OC7CCNCC7)c6)cc45)[nH]c23)c1
InChIInChI=1S/C34H34FN9O2/c35-23-13-21(14-25(16-23)45-12-11-44-9-1-2-10-44)27-5-8-38-33-31(27)40-34(41-33)32-28-17-29(39-20-30(28)42-43-32)22-15-26(19-37-18-22)46-24-3-6-36-7-4-24/h5,8,13-20,24,36H,1-4,6-7,9-12H2,(H,42,43)(H,38,40,41)
InChIKeyBVUCTPGSJBGOFP-UHFFFAOYSA-N
XLogP5.37
TPSA129.76 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.71
LogP ≤ 55.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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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-yloxy-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-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (CID 136937424) is 3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-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-yloxy-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-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is Fc1cc(OCCN2CCCC2)cc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cncc(OC7CCNCC7)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-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is BVUCTPGSJBGOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34FN9O2/c35-23-13-21(14-25(16-23)45-12-11-44-9-1-2-10-44)27-5-8-38-33-31(27)40-34(41-33)32-28-17-29(39-20-30(28)42-43-32)22-15-26(19-37-18-22)46-24-3-6-36-7-4-24/h5,8,13-20,24,36H,1-4,6-7,9-12H2,(H,42,43)(H,38,40,41).
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-yloxy-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-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 619.71 g/mol, XLogP of 5.37, 9 rotatable bonds, 3 hydrogen bond donors, and 9 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-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 136937424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).