2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)-1,5-naphthyridine

C24H21ClFN5 — CID 159071166

IUPAC2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)-1,5-naphthyridine
SMILESCN1CC2CN(c3cnc4ccc(C5=CCN=C5c5cc(Cl)ccc5F)nc4c3)CC21
InChIInChI=1S/C24H21ClFN5/c1-30-11-14-12-31(13-23(14)30)16-9-22-21(28-10-16)5-4-20(29-22)17-6-7-27-24(17)18-8-15(25)2-3-19(18)26/h2-6,8-10,14,23H,7,11-13H2,1H3
InChIKeyJZQXKMNBADNCFB-UHFFFAOYSA-N
MW433.92 g/mol
LogP4.06
Rot. Bonds3

About 2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)-1,5-naphthyridine

2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)-1,5-naphthyridine (PubChem CID 159071166) has the molecular formula C24H21ClFN5 and a molecular weight of 433.92 g/mol. Its IUPAC name is 2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)-1,5-naphthyridine.

Molecular Properties

Compound Name2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)-1,5-naphthyridine
PubChem CID159071166
Molecular FormulaC24H21ClFN5
Molecular Weight433.92 g/mol
Exact Mass433.15
IUPAC Name2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)-1,5-naphthyridine
SMILESCN1CC2CN(c3cnc4ccc(C5=CCN=C5c5cc(Cl)ccc5F)nc4c3)CC21
InChIInChI=1S/C24H21ClFN5/c1-30-11-14-12-31(13-23(14)30)16-9-22-21(28-10-16)5-4-20(29-22)17-6-7-27-24(17)18-8-15(25)2-3-19(18)26/h2-6,8-10,14,23H,7,11-13H2,1H3
InChIKeyJZQXKMNBADNCFB-UHFFFAOYSA-N
XLogP4.06
TPSA44.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.92
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)-1,5-naphthyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)-1,5-naphthyridine?
The IUPAC name of 2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)-1,5-naphthyridine (CID 159071166) is 2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)-1,5-naphthyridine.
What is the SMILES notation for 2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)-1,5-naphthyridine?
The canonical SMILES for 2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)-1,5-naphthyridine is CN1CC2CN(c3cnc4ccc(C5=CCN=C5c5cc(Cl)ccc5F)nc4c3)CC21.
What is the InChIKey of 2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)-1,5-naphthyridine?
The InChIKey is JZQXKMNBADNCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN5/c1-30-11-14-12-31(13-23(14)30)16-9-22-21(28-10-16)5-4-20(29-22)17-6-7-27-24(17)18-8-15(25)2-3-19(18)26/h2-6,8-10,14,23H,7,11-13H2,1H3.
What are the key properties of 2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)-1,5-naphthyridine?
2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)-1,5-naphthyridine has a molecular weight of 433.92 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)-1,5-naphthyridine is sourced from PubChem (CID 159071166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).