6-[4-[5-[2-[2-[4-(1H-benzimidazol-5-yl)-3-fluorophenyl]phenoxy]pyrimidin-5-yl]-2-pyrimidin-2-yloxyphenyl]-2-fluorophenyl]-3H-imidazo[4,5-b]pyridine

C45H27F2N9O2 — CID 138711782

IUPAC6-[4-[5-[2-[2-[4-(1H-benzimidazol-5-yl)-3-fluorophenyl]phenoxy]pyrimidin-5-yl]-2-pyrimidin-2-yloxyphenyl]-2-fluorophenyl]-3H-imidazo[4,5-b]pyridine
SMILESFc1cc(-c2ccccc2Oc2ncc(-c3ccc(Oc4ncccn4)c(-c4ccc(-c5cnc6[nH]cnc6c5)c(F)c4)c3)cn2)ccc1-c1ccc2[nH]cnc2c1
InChIInChI=1S/C45H27F2N9O2/c46-36-17-27(6-10-32(36)29-8-12-38-39(19-29)54-24-53-38)34-4-1-2-5-41(34)57-45-51-22-31(23-52-45)26-9-13-42(58-44-48-14-3-15-49-44)35(16-26)28-7-11-33(37(47)18-28)30-20-40-43(50-21-30)56-25-55-40/h1-25H,(H,53,54)(H,50,55,56)
InChIKeyAQTVAMVXQHBGLL-UHFFFAOYSA-N
MW763.77 g/mol
LogP10.61
Rot. Bonds9

About 6-[4-[5-[2-[2-[4-(1H-benzimidazol-5-yl)-3-fluorophenyl]phenoxy]pyrimidin-5-yl]-2-pyrimidin-2-yloxyphenyl]-2-fluorophenyl]-3H-imidazo[4,5-b]pyridine

6-[4-[5-[2-[2-[4-(1H-benzimidazol-5-yl)-3-fluorophenyl]phenoxy]pyrimidin-5-yl]-2-pyrimidin-2-yloxyphenyl]-2-fluorophenyl]-3H-imidazo[4,5-b]pyridine (PubChem CID 138711782) has the molecular formula C45H27F2N9O2 and a molecular weight of 763.77 g/mol. Its IUPAC name is 6-[4-[5-[2-[2-[4-(1H-benzimidazol-5-yl)-3-fluorophenyl]phenoxy]pyrimidin-5-yl]-2-pyrimidin-2-yloxyphenyl]-2-fluorophenyl]-3H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[4-[5-[2-[2-[4-(1H-benzimidazol-5-yl)-3-fluorophenyl]phenoxy]pyrimidin-5-yl]-2-pyrimidin-2-yloxyphenyl]-2-fluorophenyl]-3H-imidazo[4,5-b]pyridine
PubChem CID138711782
Molecular FormulaC45H27F2N9O2
Molecular Weight763.77 g/mol
Exact Mass763.23
IUPAC Name6-[4-[5-[2-[2-[4-(1H-benzimidazol-5-yl)-3-fluorophenyl]phenoxy]pyrimidin-5-yl]-2-pyrimidin-2-yloxyphenyl]-2-fluorophenyl]-3H-imidazo[4,5-b]pyridine
SMILESFc1cc(-c2ccccc2Oc2ncc(-c3ccc(Oc4ncccn4)c(-c4ccc(-c5cnc6[nH]cnc6c5)c(F)c4)c3)cn2)ccc1-c1ccc2[nH]cnc2c1
InChIInChI=1S/C45H27F2N9O2/c46-36-17-27(6-10-32(36)29-8-12-38-39(19-29)54-24-53-38)34-4-1-2-5-41(34)57-45-51-22-31(23-52-45)26-9-13-42(58-44-48-14-3-15-49-44)35(16-26)28-7-11-33(37(47)18-28)30-20-40-43(50-21-30)56-25-55-40/h1-25H,(H,53,54)(H,50,55,56)
InChIKeyAQTVAMVXQHBGLL-UHFFFAOYSA-N
XLogP10.61
TPSA140.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.77
LogP ≤ 510.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[4-[5-[2-[2-[4-(1H-benzimidazol-5-yl)-3-fluorophenyl]phenoxy]pyrimidin-5-yl]-2-pyrimidin-2-yloxyphenyl]-2-fluorophenyl]-3H-imidazo[4,5-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[5-[2-[2-[4-(1H-benzimidazol-5-yl)-3-fluorophenyl]phenoxy]pyrimidin-5-yl]-2-pyrimidin-2-yloxyphenyl]-2-fluorophenyl]-3H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-[4-[5-[2-[2-[4-(1H-benzimidazol-5-yl)-3-fluorophenyl]phenoxy]pyrimidin-5-yl]-2-pyrimidin-2-yloxyphenyl]-2-fluorophenyl]-3H-imidazo[4,5-b]pyridine (CID 138711782) is 6-[4-[5-[2-[2-[4-(1H-benzimidazol-5-yl)-3-fluorophenyl]phenoxy]pyrimidin-5-yl]-2-pyrimidin-2-yloxyphenyl]-2-fluorophenyl]-3H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-[4-[5-[2-[2-[4-(1H-benzimidazol-5-yl)-3-fluorophenyl]phenoxy]pyrimidin-5-yl]-2-pyrimidin-2-yloxyphenyl]-2-fluorophenyl]-3H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-[4-[5-[2-[2-[4-(1H-benzimidazol-5-yl)-3-fluorophenyl]phenoxy]pyrimidin-5-yl]-2-pyrimidin-2-yloxyphenyl]-2-fluorophenyl]-3H-imidazo[4,5-b]pyridine is Fc1cc(-c2ccccc2Oc2ncc(-c3ccc(Oc4ncccn4)c(-c4ccc(-c5cnc6[nH]cnc6c5)c(F)c4)c3)cn2)ccc1-c1ccc2[nH]cnc2c1.
What is the InChIKey of 6-[4-[5-[2-[2-[4-(1H-benzimidazol-5-yl)-3-fluorophenyl]phenoxy]pyrimidin-5-yl]-2-pyrimidin-2-yloxyphenyl]-2-fluorophenyl]-3H-imidazo[4,5-b]pyridine?
The InChIKey is AQTVAMVXQHBGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27F2N9O2/c46-36-17-27(6-10-32(36)29-8-12-38-39(19-29)54-24-53-38)34-4-1-2-5-41(34)57-45-51-22-31(23-52-45)26-9-13-42(58-44-48-14-3-15-49-44)35(16-26)28-7-11-33(37(47)18-28)30-20-40-43(50-21-30)56-25-55-40/h1-25H,(H,53,54)(H,50,55,56).
What are the key properties of 6-[4-[5-[2-[2-[4-(1H-benzimidazol-5-yl)-3-fluorophenyl]phenoxy]pyrimidin-5-yl]-2-pyrimidin-2-yloxyphenyl]-2-fluorophenyl]-3H-imidazo[4,5-b]pyridine?
6-[4-[5-[2-[2-[4-(1H-benzimidazol-5-yl)-3-fluorophenyl]phenoxy]pyrimidin-5-yl]-2-pyrimidin-2-yloxyphenyl]-2-fluorophenyl]-3H-imidazo[4,5-b]pyridine has a molecular weight of 763.77 g/mol, XLogP of 10.61, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[5-[2-[2-[4-(1H-benzimidazol-5-yl)-3-fluorophenyl]phenoxy]pyrimidin-5-yl]-2-pyrimidin-2-yloxyphenyl]-2-fluorophenyl]-3H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 138711782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).