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

C25H26ClFN6 — CID 146787633

IUPAC6-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-N-methyl-N-(2-piperazin-1-ylethyl)-1,5-naphthyridin-3-amine
SMILESCN(CCN1CCNCC1)c1cnc2ccc(C3=CCN=C3c3cc(Cl)ccc3F)nc2c1
InChIInChI=1S/C25H26ClFN6/c1-32(12-13-33-10-8-28-9-11-33)18-15-24-23(30-16-18)5-4-22(31-24)19-6-7-29-25(19)20-14-17(26)2-3-21(20)27/h2-6,14-16,28H,7-13H2,1H3
InChIKeyRVEPDOUSCVERIX-UHFFFAOYSA-N
MW464.98 g/mol
LogP3.65
Rot. Bonds6

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

6-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-N-methyl-N-(2-piperazin-1-ylethyl)-1,5-naphthyridin-3-amine (PubChem CID 146787633) has the molecular formula C25H26ClFN6 and a molecular weight of 464.98 g/mol. Its IUPAC name is 6-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-N-methyl-N-(2-piperazin-1-ylethyl)-1,5-naphthyridin-3-amine.

Molecular Properties

Compound Name6-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-N-methyl-N-(2-piperazin-1-ylethyl)-1,5-naphthyridin-3-amine
PubChem CID146787633
Molecular FormulaC25H26ClFN6
Molecular Weight464.98 g/mol
Exact Mass464.19
IUPAC Name6-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-N-methyl-N-(2-piperazin-1-ylethyl)-1,5-naphthyridin-3-amine
SMILESCN(CCN1CCNCC1)c1cnc2ccc(C3=CCN=C3c3cc(Cl)ccc3F)nc2c1
InChIInChI=1S/C25H26ClFN6/c1-32(12-13-33-10-8-28-9-11-33)18-15-24-23(30-16-18)5-4-22(31-24)19-6-7-29-25(19)20-14-17(26)2-3-21(20)27/h2-6,14-16,28H,7-13H2,1H3
InChIKeyRVEPDOUSCVERIX-UHFFFAOYSA-N
XLogP3.65
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.98
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-N-methyl-N-(2-piperazin-1-ylethyl)-1,5-naphthyridin-3-amine?
The IUPAC name of 6-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-N-methyl-N-(2-piperazin-1-ylethyl)-1,5-naphthyridin-3-amine (CID 146787633) is 6-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-N-methyl-N-(2-piperazin-1-ylethyl)-1,5-naphthyridin-3-amine.
What is the SMILES notation for 6-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-N-methyl-N-(2-piperazin-1-ylethyl)-1,5-naphthyridin-3-amine?
The canonical SMILES for 6-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-N-methyl-N-(2-piperazin-1-ylethyl)-1,5-naphthyridin-3-amine is CN(CCN1CCNCC1)c1cnc2ccc(C3=CCN=C3c3cc(Cl)ccc3F)nc2c1.
What is the InChIKey of 6-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-N-methyl-N-(2-piperazin-1-ylethyl)-1,5-naphthyridin-3-amine?
The InChIKey is RVEPDOUSCVERIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClFN6/c1-32(12-13-33-10-8-28-9-11-33)18-15-24-23(30-16-18)5-4-22(31-24)19-6-7-29-25(19)20-14-17(26)2-3-21(20)27/h2-6,14-16,28H,7-13H2,1H3.
What are the key properties of 6-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-N-methyl-N-(2-piperazin-1-ylethyl)-1,5-naphthyridin-3-amine?
6-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-N-methyl-N-(2-piperazin-1-ylethyl)-1,5-naphthyridin-3-amine has a molecular weight of 464.98 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-N-methyl-N-(2-piperazin-1-ylethyl)-1,5-naphthyridin-3-amine is sourced from PubChem (CID 146787633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).