1-[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-phenylpropan-2-one

C33H24FN7O2 — CID 138571803

IUPAC1-[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-phenylpropan-2-one
SMILESCOc1cc(F)cc(-c2ccnc3nc(-c4[nH]nc5ncc(-c6cncc(CC(=O)Cc7ccccc7)c6)cc45)[nH]c23)c1
InChIInChI=1S/C33H24FN7O2/c1-43-26-13-21(12-24(34)15-26)27-7-8-36-32-29(27)38-33(39-32)30-28-14-23(18-37-31(28)41-40-30)22-9-20(16-35-17-22)11-25(42)10-19-5-3-2-4-6-19/h2-9,12-18H,10-11H2,1H3,(H,36,38,39)(H,37,40,41)
InChIKeyKZXULAOCBOJKMR-UHFFFAOYSA-N
MW569.60 g/mol
LogP6.13
Rot. Bonds8

About 1-[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-phenylpropan-2-one

1-[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-phenylpropan-2-one (PubChem CID 138571803) has the molecular formula C33H24FN7O2 and a molecular weight of 569.60 g/mol. Its IUPAC name is 1-[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-phenylpropan-2-one
PubChem CID138571803
Molecular FormulaC33H24FN7O2
Molecular Weight569.60 g/mol
Exact Mass569.20
IUPAC Name1-[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-phenylpropan-2-one
SMILESCOc1cc(F)cc(-c2ccnc3nc(-c4[nH]nc5ncc(-c6cncc(CC(=O)Cc7ccccc7)c6)cc45)[nH]c23)c1
InChIInChI=1S/C33H24FN7O2/c1-43-26-13-21(12-24(34)15-26)27-7-8-36-32-29(27)38-33(39-32)30-28-14-23(18-37-31(28)41-40-30)22-9-20(16-35-17-22)11-25(42)10-19-5-3-2-4-6-19/h2-9,12-18H,10-11H2,1H3,(H,36,38,39)(H,37,40,41)
InChIKeyKZXULAOCBOJKMR-UHFFFAOYSA-N
XLogP6.13
TPSA122.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.60
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-phenylpropan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-phenylpropan-2-one?
The IUPAC name of 1-[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-phenylpropan-2-one (CID 138571803) is 1-[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-phenylpropan-2-one.
What is the SMILES notation for 1-[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-phenylpropan-2-one?
The canonical SMILES for 1-[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-phenylpropan-2-one is COc1cc(F)cc(-c2ccnc3nc(-c4[nH]nc5ncc(-c6cncc(CC(=O)Cc7ccccc7)c6)cc45)[nH]c23)c1.
What is the InChIKey of 1-[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-phenylpropan-2-one?
The InChIKey is KZXULAOCBOJKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24FN7O2/c1-43-26-13-21(12-24(34)15-26)27-7-8-36-32-29(27)38-33(39-32)30-28-14-23(18-37-31(28)41-40-30)22-9-20(16-35-17-22)11-25(42)10-19-5-3-2-4-6-19/h2-9,12-18H,10-11H2,1H3,(H,36,38,39)(H,37,40,41).
What are the key properties of 1-[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-phenylpropan-2-one?
1-[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-phenylpropan-2-one has a molecular weight of 569.60 g/mol, XLogP of 6.13, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-[7-(3-fluoro-5-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-phenylpropan-2-one is sourced from PubChem (CID 138571803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).