4-N-[2-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1,8-naphthyridin-4-yl]pyridine-3,4-diamine

C20H18FN5 — CID 123823768

IUPAC4-N-[2-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1,8-naphthyridin-4-yl]pyridine-3,4-diamine
SMILESCC1C=C(F)C(c2cc(Nc3ccncc3N)c3cccnc3n2)=CC1
InChIInChI=1S/C20H18FN5/c1-12-4-5-13(15(21)9-12)18-10-19(14-3-2-7-24-20(14)26-18)25-17-6-8-23-11-16(17)22/h2-3,5-12H,4,22H2,1H3,(H,23,24,25,26)
InChIKeyOHLJAHJTCUDQGO-UHFFFAOYSA-N
MW347.40 g/mol
LogP4.63
Rot. Bonds3

About 4-N-[2-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1,8-naphthyridin-4-yl]pyridine-3,4-diamine

4-N-[2-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1,8-naphthyridin-4-yl]pyridine-3,4-diamine (PubChem CID 123823768) has the molecular formula C20H18FN5 and a molecular weight of 347.40 g/mol. Its IUPAC name is 4-N-[2-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1,8-naphthyridin-4-yl]pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-[2-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1,8-naphthyridin-4-yl]pyridine-3,4-diamine
PubChem CID123823768
Molecular FormulaC20H18FN5
Molecular Weight347.40 g/mol
Exact Mass347.15
IUPAC Name4-N-[2-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1,8-naphthyridin-4-yl]pyridine-3,4-diamine
SMILESCC1C=C(F)C(c2cc(Nc3ccncc3N)c3cccnc3n2)=CC1
InChIInChI=1S/C20H18FN5/c1-12-4-5-13(15(21)9-12)18-10-19(14-3-2-7-24-20(14)26-18)25-17-6-8-23-11-16(17)22/h2-3,5-12H,4,22H2,1H3,(H,23,24,25,26)
InChIKeyOHLJAHJTCUDQGO-UHFFFAOYSA-N
XLogP4.63
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-[2-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1,8-naphthyridin-4-yl]pyridine-3,4-diamine with MolForge

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Related Compounds

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2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
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SD-208
CID 10316032
5-chloro-2-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 156768862
Sri-9439
CID 446752
6-Amino-4-[(3-methylphenyl)amino]pyrido[3,4-d]pyrimidine
CID 5328375
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
N-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)quinolin-7-amine
CID 10248318
Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1,8-naphthyridin-4-yl]pyridine-3,4-diamine?
The IUPAC name of 4-N-[2-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1,8-naphthyridin-4-yl]pyridine-3,4-diamine (CID 123823768) is 4-N-[2-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1,8-naphthyridin-4-yl]pyridine-3,4-diamine.
What is the SMILES notation for 4-N-[2-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1,8-naphthyridin-4-yl]pyridine-3,4-diamine?
The canonical SMILES for 4-N-[2-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1,8-naphthyridin-4-yl]pyridine-3,4-diamine is CC1C=C(F)C(c2cc(Nc3ccncc3N)c3cccnc3n2)=CC1.
What is the InChIKey of 4-N-[2-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1,8-naphthyridin-4-yl]pyridine-3,4-diamine?
The InChIKey is OHLJAHJTCUDQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5/c1-12-4-5-13(15(21)9-12)18-10-19(14-3-2-7-24-20(14)26-18)25-17-6-8-23-11-16(17)22/h2-3,5-12H,4,22H2,1H3,(H,23,24,25,26).
What are the key properties of 4-N-[2-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1,8-naphthyridin-4-yl]pyridine-3,4-diamine?
4-N-[2-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1,8-naphthyridin-4-yl]pyridine-3,4-diamine has a molecular weight of 347.40 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(6-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1,8-naphthyridin-4-yl]pyridine-3,4-diamine is sourced from PubChem (CID 123823768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).