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

C29H25FN8O — CID 137308599

IUPAC3-[7-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
SMILESCC1=CC(=CC(=C1)F)C2=C3C(=NC=C2)N=C(N3)C4=NNC5=C4N=C(C=C5)C6=CC(=CN=C6)OC7CCNCC7
InChIInChI=1S/C29H25FN8O/c1-16-10-17(12-19(30)11-16)22-6-9-33-28-25(22)35-29(36-28)27-26-24(37-38-27)3-2-23(34-26)18-13-21(15-32-14-18)39-20-4-7-31-8-5-20/h2-3,6,9-15,20,31H,4-5,7-8H2,1H3,(H,37,38)(H,33,35,36)
InChIKeyJCTDBVHFLPXJFL-UHFFFAOYSA-N
MW520.60 g/mol
LogP3.90
Rot. Bonds5

About 3-[7-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine

3-[7-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137308599) has the molecular formula C29H25FN8O and a molecular weight of 520.60 g/mol. Its IUPAC name is 3-[7-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-[7-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
PubChem CID137308599
Molecular FormulaC29H25FN8O
Molecular Weight520.60 g/mol
Exact Mass520.21
IUPAC Name3-[7-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
SMILESCC1=CC(=CC(=C1)F)C2=C3C(=NC=C2)N=C(N3)C4=NNC5=C4N=C(C=C5)C6=CC(=CN=C6)OC7CCNCC7
InChIInChI=1S/C29H25FN8O/c1-16-10-17(12-19(30)11-16)22-6-9-33-28-25(22)35-29(36-28)27-26-24(37-38-27)3-2-23(34-26)18-13-21(15-32-14-18)39-20-4-7-31-8-5-20/h2-3,6,9-15,20,31H,4-5,7-8H2,1H3,(H,37,38)(H,33,35,36)
InChIKeyJCTDBVHFLPXJFL-UHFFFAOYSA-N
XLogP3.90
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity818

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.60
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 3-[7-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-[7-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine (CID 137308599) is 3-[7-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-[7-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-[7-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine is CC1=CC(=CC(=C1)F)C2=C3C(=NC=C2)N=C(N3)C4=NNC5=C4N=C(C=C5)C6=CC(=CN=C6)OC7CCNCC7.
What is the InChIKey of 3-[7-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is JCTDBVHFLPXJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN8O/c1-16-10-17(12-19(30)11-16)22-6-9-33-28-25(22)35-29(36-28)27-26-24(37-38-27)3-2-23(34-26)18-13-21(15-32-14-18)39-20-4-7-31-8-5-20/h2-3,6,9-15,20,31H,4-5,7-8H2,1H3,(H,37,38)(H,33,35,36).
What are the key properties of 3-[7-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine?
3-[7-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 520.60 g/mol, XLogP of 3.90, 5 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-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137308599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).