[[5-[7-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]-phenylmethanol

C29H20FN7O2 — CID 137316559

IUPAC[[5-[7-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]-phenylmethanol
SMILESOC(Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5nccc(-c6ccoc6)c5[nH]4)c3c2)c1)c1ccccc1
InChIInChI=1S/C29H20FN7O2/c30-23-12-18(19-10-20(14-31-13-19)33-29(38)16-4-2-1-3-5-16)11-22-24(23)36-37-26(22)28-34-25-21(17-7-9-39-15-17)6-8-32-27(25)35-28/h1-15,29,33,38H,(H,36,37)(H,32,34,35)
InChIKeyZJLBREWONXPUTF-UHFFFAOYSA-N
MW517.52 g/mol
LogP6.07
Rot. Bonds6

About [[5-[7-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]-phenylmethanol

[[5-[7-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]-phenylmethanol (PubChem CID 137316559) has the molecular formula C29H20FN7O2 and a molecular weight of 517.52 g/mol. Its IUPAC name is [[5-[7-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]-phenylmethanol.

Molecular Properties

Compound Name[[5-[7-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]-phenylmethanol
PubChem CID137316559
Molecular FormulaC29H20FN7O2
Molecular Weight517.52 g/mol
Exact Mass517.17
IUPAC Name[[5-[7-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]-phenylmethanol
SMILESOC(Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5nccc(-c6ccoc6)c5[nH]4)c3c2)c1)c1ccccc1
InChIInChI=1S/C29H20FN7O2/c30-23-12-18(19-10-20(14-31-13-19)33-29(38)16-4-2-1-3-5-16)11-22-24(23)36-37-26(22)28-34-25-21(17-7-9-39-15-17)6-8-32-27(25)35-28/h1-15,29,33,38H,(H,36,37)(H,32,34,35)
InChIKeyZJLBREWONXPUTF-UHFFFAOYSA-N
XLogP6.07
TPSA128.54 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.52
LogP ≤ 56.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [[5-[7-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]-phenylmethanol with MolForge

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Related Compounds

2-(7-fluoro-5-pyridin-3-yl-2H-indazol-3-yl)-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine
CID 137134511
2-[7-fluoro-5-(4-methyl-3-pyridinyl)-2H-indazol-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine
CID 137134512
cyclobutyl-[[5-[7-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]amino]methanol
CID 137287319
2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-7-(furan-3-yl)-1H-imidazo[4,5-b]pyridine
CID 137134521
5-[7-fluoro-3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137134490
5-[7-fluoro-3-(7-thiophen-2-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137134544
N-[5-[7-fluoro-3-[7-(2-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 137134281
1-[[5-[7-fluoro-3-[7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]-3,3-dimethylbutan-1-ol
CID 138612336
N-[5-[7-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137134319
N-[5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 137056173
N-[[5-[7-fluoro-3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137134327
1-[[5-[7-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]amino]pentan-1-ol
CID 137287324

Frequently Asked Questions

What is the IUPAC name of [[5-[7-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]-phenylmethanol?
The IUPAC name of [[5-[7-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]-phenylmethanol (CID 137316559) is [[5-[7-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]-phenylmethanol.
What is the SMILES notation for [[5-[7-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]-phenylmethanol?
The canonical SMILES for [[5-[7-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]-phenylmethanol is OC(Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5nccc(-c6ccoc6)c5[nH]4)c3c2)c1)c1ccccc1.
What is the InChIKey of [[5-[7-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]-phenylmethanol?
The InChIKey is ZJLBREWONXPUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20FN7O2/c30-23-12-18(19-10-20(14-31-13-19)33-29(38)16-4-2-1-3-5-16)11-22-24(23)36-37-26(22)28-34-25-21(17-7-9-39-15-17)6-8-32-27(25)35-28/h1-15,29,33,38H,(H,36,37)(H,32,34,35).
What are the key properties of [[5-[7-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]-phenylmethanol?
[[5-[7-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]-phenylmethanol has a molecular weight of 517.52 g/mol, XLogP of 6.07, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [[5-[7-fluoro-3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]amino]-phenylmethanol is sourced from PubChem (CID 137316559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).