8-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]-2-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-5,6-dihydro-1,7-naphthyridine

C38H40FN7O2 — CID 126558910

IUPAC8-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]-2-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-5,6-dihydro-1,7-naphthyridine
SMILESFc1cc(OCCN2CCCC2)cc(-c2cccc3[nH]c(C4=NCCc5ccc(-c6cncc(OCCN7CCCC7)c6)nc54)nc23)c1
InChIInChI=1S/C38H40FN7O2/c39-29-20-27(21-30(23-29)47-18-16-45-12-1-2-13-45)32-6-5-7-34-36(32)44-38(43-34)37-35-26(10-11-41-37)8-9-33(42-35)28-22-31(25-40-24-28)48-19-17-46-14-3-4-15-46/h5-9,20-25H,1-4,10-19H2,(H,43,44)
InChIKeyRHUZXHSPCIGIHD-UHFFFAOYSA-N
MW645.78 g/mol
LogP6.17
Rot. Bonds11

About 8-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]-2-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-5,6-dihydro-1,7-naphthyridine

8-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]-2-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-5,6-dihydro-1,7-naphthyridine (PubChem CID 126558910) has the molecular formula C38H40FN7O2 and a molecular weight of 645.78 g/mol. Its IUPAC name is 8-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]-2-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-5,6-dihydro-1,7-naphthyridine.

Molecular Properties

Compound Name8-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]-2-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-5,6-dihydro-1,7-naphthyridine
PubChem CID126558910
Molecular FormulaC38H40FN7O2
Molecular Weight645.78 g/mol
Exact Mass645.32
IUPAC Name8-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]-2-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-5,6-dihydro-1,7-naphthyridine
SMILESFc1cc(OCCN2CCCC2)cc(-c2cccc3[nH]c(C4=NCCc5ccc(-c6cncc(OCCN7CCCC7)c6)nc54)nc23)c1
InChIInChI=1S/C38H40FN7O2/c39-29-20-27(21-30(23-29)47-18-16-45-12-1-2-13-45)32-6-5-7-34-36(32)44-38(43-34)37-35-26(10-11-41-37)8-9-33(42-35)28-22-31(25-40-24-28)48-19-17-46-14-3-4-15-46/h5-9,20-25H,1-4,10-19H2,(H,43,44)
InChIKeyRHUZXHSPCIGIHD-UHFFFAOYSA-N
XLogP6.17
TPSA91.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.78
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]-2-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-5,6-dihydro-1,7-naphthyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]-2-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-5,6-dihydro-1,7-naphthyridine?
The IUPAC name of 8-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]-2-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-5,6-dihydro-1,7-naphthyridine (CID 126558910) is 8-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]-2-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-5,6-dihydro-1,7-naphthyridine.
What is the SMILES notation for 8-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]-2-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-5,6-dihydro-1,7-naphthyridine?
The canonical SMILES for 8-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]-2-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-5,6-dihydro-1,7-naphthyridine is Fc1cc(OCCN2CCCC2)cc(-c2cccc3[nH]c(C4=NCCc5ccc(-c6cncc(OCCN7CCCC7)c6)nc54)nc23)c1.
What is the InChIKey of 8-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]-2-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-5,6-dihydro-1,7-naphthyridine?
The InChIKey is RHUZXHSPCIGIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40FN7O2/c39-29-20-27(21-30(23-29)47-18-16-45-12-1-2-13-45)32-6-5-7-34-36(32)44-38(43-34)37-35-26(10-11-41-37)8-9-33(42-35)28-22-31(25-40-24-28)48-19-17-46-14-3-4-15-46/h5-9,20-25H,1-4,10-19H2,(H,43,44).
What are the key properties of 8-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]-2-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-5,6-dihydro-1,7-naphthyridine?
8-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]-2-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-5,6-dihydro-1,7-naphthyridine has a molecular weight of 645.78 g/mol, XLogP of 6.17, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]-2-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-5,6-dihydro-1,7-naphthyridine is sourced from PubChem (CID 126558910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).