3-fluoro-5-[2-[5-[5-(propan-2-ylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol

C26H21FN8O — CID 136937618

IUPAC3-fluoro-5-[2-[5-[5-(propan-2-ylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol
SMILESCC(C)Nc1cncc(-c2cc3c(-c4nc5nccc(-c6cc(O)cc(F)c6)c5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C26H21FN8O/c1-13(2)31-17-6-15(10-28-11-17)21-9-20-22(12-30-21)34-35-24(20)26-32-23-19(3-4-29-25(23)33-26)14-5-16(27)8-18(36)7-14/h3-13,31,36H,1-2H3,(H,34,35)(H,29,32,33)
InChIKeyVGDUVSFBCOFWSA-UHFFFAOYSA-N
MW480.51 g/mol
LogP5.29
Rot. Bonds5

About 3-fluoro-5-[2-[5-[5-(propan-2-ylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol

3-fluoro-5-[2-[5-[5-(propan-2-ylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol (PubChem CID 136937618) has the molecular formula C26H21FN8O and a molecular weight of 480.51 g/mol. Its IUPAC name is 3-fluoro-5-[2-[5-[5-(propan-2-ylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[2-[5-[5-(propan-2-ylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol
PubChem CID136937618
Molecular FormulaC26H21FN8O
Molecular Weight480.51 g/mol
Exact Mass480.18
IUPAC Name3-fluoro-5-[2-[5-[5-(propan-2-ylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol
SMILESCC(C)Nc1cncc(-c2cc3c(-c4nc5nccc(-c6cc(O)cc(F)c6)c5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C26H21FN8O/c1-13(2)31-17-6-15(10-28-11-17)21-9-20-22(12-30-21)34-35-24(20)26-32-23-19(3-4-29-25(23)33-26)14-5-16(27)8-18(36)7-14/h3-13,31,36H,1-2H3,(H,34,35)(H,29,32,33)
InChIKeyVGDUVSFBCOFWSA-UHFFFAOYSA-N
XLogP5.29
TPSA128.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.51
LogP ≤ 55.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[2-[5-[5-(propan-2-ylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol?
The IUPAC name of 3-fluoro-5-[2-[5-[5-(propan-2-ylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol (CID 136937618) is 3-fluoro-5-[2-[5-[5-(propan-2-ylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol.
What is the SMILES notation for 3-fluoro-5-[2-[5-[5-(propan-2-ylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol?
The canonical SMILES for 3-fluoro-5-[2-[5-[5-(propan-2-ylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol is CC(C)Nc1cncc(-c2cc3c(-c4nc5nccc(-c6cc(O)cc(F)c6)c5[nH]4)n[nH]c3cn2)c1.
What is the InChIKey of 3-fluoro-5-[2-[5-[5-(propan-2-ylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol?
The InChIKey is VGDUVSFBCOFWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN8O/c1-13(2)31-17-6-15(10-28-11-17)21-9-20-22(12-30-21)34-35-24(20)26-32-23-19(3-4-29-25(23)33-26)14-5-16(27)8-18(36)7-14/h3-13,31,36H,1-2H3,(H,34,35)(H,29,32,33).
What are the key properties of 3-fluoro-5-[2-[5-[5-(propan-2-ylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol?
3-fluoro-5-[2-[5-[5-(propan-2-ylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol has a molecular weight of 480.51 g/mol, XLogP of 5.29, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[2-[5-[5-(propan-2-ylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenol is sourced from PubChem (CID 136937618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).