2-chloro-N-[5-(fluoromethyl)-2-pyridinyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine

C20H12ClF4N5 — CID 89133518

IUPAC2-chloro-N-[5-(fluoromethyl)-2-pyridinyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine
SMILESFCc1ccc(Nc2cc(Cl)nc3cc(-c4ncccc4C(F)(F)F)cnc23)nc1
InChIInChI=1S/C20H12ClF4N5/c21-16-7-15(30-17-4-3-11(8-22)9-27-17)19-14(29-16)6-12(10-28-19)18-13(20(23,24)25)2-1-5-26-18/h1-7,9-10H,8H2,(H,27,29,30)
InChIKeyISBJCBJMXLOXHR-UHFFFAOYSA-N
MW433.80 g/mol
LogP5.97
Rot. Bonds4

About 2-chloro-N-[5-(fluoromethyl)-2-pyridinyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine

2-chloro-N-[5-(fluoromethyl)-2-pyridinyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine (PubChem CID 89133518) has the molecular formula C20H12ClF4N5 and a molecular weight of 433.80 g/mol. Its IUPAC name is 2-chloro-N-[5-(fluoromethyl)-2-pyridinyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[5-(fluoromethyl)-2-pyridinyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine
PubChem CID89133518
Molecular FormulaC20H12ClF4N5
Molecular Weight433.80 g/mol
Exact Mass433.07
IUPAC Name2-chloro-N-[5-(fluoromethyl)-2-pyridinyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine
SMILESFCc1ccc(Nc2cc(Cl)nc3cc(-c4ncccc4C(F)(F)F)cnc23)nc1
InChIInChI=1S/C20H12ClF4N5/c21-16-7-15(30-17-4-3-11(8-22)9-27-17)19-14(29-16)6-12(10-28-19)18-13(20(23,24)25)2-1-5-26-18/h1-7,9-10H,8H2,(H,27,29,30)
InChIKeyISBJCBJMXLOXHR-UHFFFAOYSA-N
XLogP5.97
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.80
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Falnidamol
CID 6918508
Seletalisib
CID 56928390
Tpl2 Kinase Inhibitor
CID 9549300
SD-208
CID 10316032
4-N-(3-chlorophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328373
Pyrazine-Pyridine Biheteroaryl 20
CID 5330362
Pyrazine-Pyridine Biheteroaryl 24
CID 5330363
Pyrazine-Pyridine Biheteroaryl 50
CID 5330378
Pyrazine-Pyridine Biheteroaryl 53
CID 5330381
Pyrazine-Pyridine Biheteroaryl 55
CID 5330383
Pyrazine-Pyridine Biheteroaryl 56
CID 5330390
N-(4-chlorophenyl)-8-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-amine
CID 6419383

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(fluoromethyl)-2-pyridinyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine?
The IUPAC name of 2-chloro-N-[5-(fluoromethyl)-2-pyridinyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine (CID 89133518) is 2-chloro-N-[5-(fluoromethyl)-2-pyridinyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[5-(fluoromethyl)-2-pyridinyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine?
The canonical SMILES for 2-chloro-N-[5-(fluoromethyl)-2-pyridinyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine is FCc1ccc(Nc2cc(Cl)nc3cc(-c4ncccc4C(F)(F)F)cnc23)nc1.
What is the InChIKey of 2-chloro-N-[5-(fluoromethyl)-2-pyridinyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine?
The InChIKey is ISBJCBJMXLOXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF4N5/c21-16-7-15(30-17-4-3-11(8-22)9-27-17)19-14(29-16)6-12(10-28-19)18-13(20(23,24)25)2-1-5-26-18/h1-7,9-10H,8H2,(H,27,29,30).
What are the key properties of 2-chloro-N-[5-(fluoromethyl)-2-pyridinyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine?
2-chloro-N-[5-(fluoromethyl)-2-pyridinyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine has a molecular weight of 433.80 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(fluoromethyl)-2-pyridinyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-1,5-naphthyridin-4-amine is sourced from PubChem (CID 89133518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).