1-[6-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridin-3-yl]-N,N-dimethylazetidin-3-amine

C23H21ClFN5 — CID 159042489

IUPAC1-[6-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridin-3-yl]-N,N-dimethylazetidin-3-amine
SMILESCN(C)C1CN(c2cnc3ccc(C4=CCN=C4c4cc(Cl)ccc4F)nc3c2)C1
InChIInChI=1S/C23H21ClFN5/c1-29(2)16-12-30(13-16)15-10-22-21(27-11-15)6-5-20(28-22)17-7-8-26-23(17)18-9-14(24)3-4-19(18)25/h3-7,9-11,16H,8,12-13H2,1-2H3
InChIKeyJWFXOFXBENBCPC-UHFFFAOYSA-N
MW421.91 g/mol
LogP4.06
Rot. Bonds4

About 1-[6-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridin-3-yl]-N,N-dimethylazetidin-3-amine

1-[6-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridin-3-yl]-N,N-dimethylazetidin-3-amine (PubChem CID 159042489) has the molecular formula C23H21ClFN5 and a molecular weight of 421.91 g/mol. Its IUPAC name is 1-[6-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridin-3-yl]-N,N-dimethylazetidin-3-amine.

Molecular Properties

Compound Name1-[6-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridin-3-yl]-N,N-dimethylazetidin-3-amine
PubChem CID159042489
Molecular FormulaC23H21ClFN5
Molecular Weight421.91 g/mol
Exact Mass421.15
IUPAC Name1-[6-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridin-3-yl]-N,N-dimethylazetidin-3-amine
SMILESCN(C)C1CN(c2cnc3ccc(C4=CCN=C4c4cc(Cl)ccc4F)nc3c2)C1
InChIInChI=1S/C23H21ClFN5/c1-29(2)16-12-30(13-16)15-10-22-21(27-11-15)6-5-20(28-22)17-7-8-26-23(17)18-9-14(24)3-4-19(18)25/h3-7,9-11,16H,8,12-13H2,1-2H3
InChIKeyJWFXOFXBENBCPC-UHFFFAOYSA-N
XLogP4.06
TPSA44.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridin-3-yl]-N,N-dimethylazetidin-3-amine?
The IUPAC name of 1-[6-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridin-3-yl]-N,N-dimethylazetidin-3-amine (CID 159042489) is 1-[6-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridin-3-yl]-N,N-dimethylazetidin-3-amine.
What is the SMILES notation for 1-[6-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridin-3-yl]-N,N-dimethylazetidin-3-amine?
The canonical SMILES for 1-[6-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridin-3-yl]-N,N-dimethylazetidin-3-amine is CN(C)C1CN(c2cnc3ccc(C4=CCN=C4c4cc(Cl)ccc4F)nc3c2)C1.
What is the InChIKey of 1-[6-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridin-3-yl]-N,N-dimethylazetidin-3-amine?
The InChIKey is JWFXOFXBENBCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN5/c1-29(2)16-12-30(13-16)15-10-22-21(27-11-15)6-5-20(28-22)17-7-8-26-23(17)18-9-14(24)3-4-19(18)25/h3-7,9-11,16H,8,12-13H2,1-2H3.
What are the key properties of 1-[6-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridin-3-yl]-N,N-dimethylazetidin-3-amine?
1-[6-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridin-3-yl]-N,N-dimethylazetidin-3-amine has a molecular weight of 421.91 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-1,5-naphthyridin-3-yl]-N,N-dimethylazetidin-3-amine is sourced from PubChem (CID 159042489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).