3-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,7-naphthyridin-1-amine

C27H16F2N6 — CID 53345828

IUPAC3-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,7-naphthyridin-1-amine
SMILESNc1nc(-c2cncc(-c3cc(-c4cc(F)ccc4F)nc4ncccc34)c2)cc2ccncc12
InChIInChI=1S/C27H16F2N6/c28-18-3-4-23(29)21(10-18)25-11-20(19-2-1-6-33-27(19)35-25)16-8-17(13-32-12-16)24-9-15-5-7-31-14-22(15)26(30)34-24/h1-14H,(H2,30,34)
InChIKeyMXAZFTJAMCDYDX-UHFFFAOYSA-N
MW462.46 g/mol
LogP5.83
Rot. Bonds3

About 3-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,7-naphthyridin-1-amine

3-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,7-naphthyridin-1-amine (PubChem CID 53345828) has the molecular formula C27H16F2N6 and a molecular weight of 462.46 g/mol. Its IUPAC name is 3-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,7-naphthyridin-1-amine.

Molecular Properties

Compound Name3-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,7-naphthyridin-1-amine
PubChem CID53345828
Molecular FormulaC27H16F2N6
Molecular Weight462.46 g/mol
Exact Mass462.14
IUPAC Name3-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,7-naphthyridin-1-amine
SMILESNc1nc(-c2cncc(-c3cc(-c4cc(F)ccc4F)nc4ncccc34)c2)cc2ccncc12
InChIInChI=1S/C27H16F2N6/c28-18-3-4-23(29)21(10-18)25-11-20(19-2-1-6-33-27(19)35-25)16-8-17(13-32-12-16)24-9-15-5-7-31-14-22(15)26(30)34-24/h1-14H,(H2,30,34)
InChIKeyMXAZFTJAMCDYDX-UHFFFAOYSA-N
XLogP5.83
TPSA90.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.46
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,7-naphthyridin-1-amine with MolForge

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Related Compounds

Azd-3839
CID 46202416
Abt-702
CID 1973
Sri-9439
CID 446752
Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
N-benzyl-2-pyridin-4-ylquinazolin-4-amine
CID 921562
N-(4-methylphenyl)-4-quinolin-4-ylpyrimidin-2-amine
CID 44820374
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
4-N-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328058
4-N-(3-fluorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328069
4-N-benzylpyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328077

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,7-naphthyridin-1-amine?
The IUPAC name of 3-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,7-naphthyridin-1-amine (CID 53345828) is 3-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,7-naphthyridin-1-amine.
What is the SMILES notation for 3-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,7-naphthyridin-1-amine?
The canonical SMILES for 3-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,7-naphthyridin-1-amine is Nc1nc(-c2cncc(-c3cc(-c4cc(F)ccc4F)nc4ncccc34)c2)cc2ccncc12.
What is the InChIKey of 3-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,7-naphthyridin-1-amine?
The InChIKey is MXAZFTJAMCDYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16F2N6/c28-18-3-4-23(29)21(10-18)25-11-20(19-2-1-6-33-27(19)35-25)16-8-17(13-32-12-16)24-9-15-5-7-31-14-22(15)26(30)34-24/h1-14H,(H2,30,34).
What are the key properties of 3-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,7-naphthyridin-1-amine?
3-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,7-naphthyridin-1-amine has a molecular weight of 462.46 g/mol, XLogP of 5.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]-2,7-naphthyridin-1-amine is sourced from PubChem (CID 53345828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).