8,9-diphenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine

C25H16N6 — CID 141180044

IUPAC8,9-diphenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine
SMILESc1ccc(-c2cc3c(ccn4c(-c5ncccn5)nnc34)nc2-c2ccccc2)cc1
InChIInChI=1S/C25H16N6/c1-3-8-17(9-4-1)19-16-20-21(28-22(19)18-10-5-2-6-11-18)12-15-31-24(20)29-30-25(31)23-26-13-7-14-27-23/h1-16H
InChIKeySFCLVRHPCKBMRU-UHFFFAOYSA-N
MW400.45 g/mol
LogP5.07
Rot. Bonds3

About 8,9-diphenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine

8,9-diphenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine (PubChem CID 141180044) has the molecular formula C25H16N6 and a molecular weight of 400.45 g/mol. Its IUPAC name is 8,9-diphenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine.

Molecular Properties

Compound Name8,9-diphenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine
PubChem CID141180044
Molecular FormulaC25H16N6
Molecular Weight400.45 g/mol
Exact Mass400.14
IUPAC Name8,9-diphenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine
SMILESc1ccc(-c2cc3c(ccn4c(-c5ncccn5)nnc34)nc2-c2ccccc2)cc1
InChIInChI=1S/C25H16N6/c1-3-8-17(9-4-1)19-16-20-21(28-22(19)18-10-5-2-6-11-18)12-15-31-24(20)29-30-25(31)23-26-13-7-14-27-23/h1-16H
InChIKeySFCLVRHPCKBMRU-UHFFFAOYSA-N
XLogP5.07
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.45
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine
CID 59473066
1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclopropan-1-amine
CID 59473018
3-fluoro-1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine
CID 44556030
9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine
CID 172698956
1-[4-[9-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropan-1-amine
CID 59473046
1-[4-[9-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclobutan-1-amine
CID 24964269
[4-(3-imidazo[1,2-a]pyridin-2-yl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine
CID 67347311
[4-[3-(1-methylpyrazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine
CID 59472900
[4-[9-phenyl-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine
CID 15980490
N-methyl-N-[[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methyl]ethanamine
CID 143370884
[4-[3-(1-methyl-5-phenylpyrazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine
CID 15980361
1-[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclohexan-1-amine;dihydrochloride
CID 67254639

Frequently Asked Questions

What is the IUPAC name of 8,9-diphenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine?
The IUPAC name of 8,9-diphenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine (CID 141180044) is 8,9-diphenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine.
What is the SMILES notation for 8,9-diphenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine?
The canonical SMILES for 8,9-diphenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine is c1ccc(-c2cc3c(ccn4c(-c5ncccn5)nnc34)nc2-c2ccccc2)cc1.
What is the InChIKey of 8,9-diphenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine?
The InChIKey is SFCLVRHPCKBMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N6/c1-3-8-17(9-4-1)19-16-20-21(28-22(19)18-10-5-2-6-11-18)12-15-31-24(20)29-30-25(31)23-26-13-7-14-27-23/h1-16H.
What are the key properties of 8,9-diphenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine?
8,9-diphenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine has a molecular weight of 400.45 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-diphenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine is sourced from PubChem (CID 141180044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).