10-(3,4-difluorophenyl)-2-methyl-5-pyridin-3-yl-2,4,6-triazatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene

C20H12F2N4 — CID 123770946

IUPAC10-(3,4-difluorophenyl)-2-methyl-5-pyridin-3-yl-2,4,6-triazatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene
SMILESCN1c2nc(-c3cccnc3)nc3ccc(-c4ccc(F)c(F)c4)c1c23
InChIInChI=1S/C20H12F2N4/c1-26-18-13(11-4-6-14(21)15(22)9-11)5-7-16-17(18)20(26)25-19(24-16)12-3-2-8-23-10-12/h2-10H,1H3
InChIKeyFBSLVPAWURDBKL-UHFFFAOYSA-N
MW346.34 g/mol
LogP4.72
Rot. Bonds2

About 10-(3,4-difluorophenyl)-2-methyl-5-pyridin-3-yl-2,4,6-triazatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene

10-(3,4-difluorophenyl)-2-methyl-5-pyridin-3-yl-2,4,6-triazatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene (PubChem CID 123770946) has the molecular formula C20H12F2N4 and a molecular weight of 346.34 g/mol. Its IUPAC name is 10-(3,4-difluorophenyl)-2-methyl-5-pyridin-3-yl-2,4,6-triazatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene.

Molecular Properties

Compound Name10-(3,4-difluorophenyl)-2-methyl-5-pyridin-3-yl-2,4,6-triazatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene
PubChem CID123770946
Molecular FormulaC20H12F2N4
Molecular Weight346.34 g/mol
Exact Mass346.10
IUPAC Name10-(3,4-difluorophenyl)-2-methyl-5-pyridin-3-yl-2,4,6-triazatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene
SMILESCN1c2nc(-c3cccnc3)nc3ccc(-c4ccc(F)c(F)c4)c1c23
InChIInChI=1S/C20H12F2N4/c1-26-18-13(11-4-6-14(21)15(22)9-11)5-7-16-17(18)20(26)25-19(24-16)12-3-2-8-23-10-12/h2-10H,1H3
InChIKeyFBSLVPAWURDBKL-UHFFFAOYSA-N
XLogP4.72
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-(3,4-difluorophenyl)-2-methyl-5-pyridin-3-yl-2,4,6-triazatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene with MolForge

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Related Compounds

6-(3,4-difluorophenyl)-N,7-dimethyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180161
6-(3,5-difluorophenyl)-4,5-dimethyl-2-pyridin-3-ylquinazoline
CID 159998467
7-(3,4-difluorophenyl)-N,8-dimethyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180280
6-(2,4-difluorophenyl)-N-ethyl-2-pyridin-3-ylquinazolin-4-amine
CID 71274702
2-[4-(3,4-difluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]benzonitrile
CID 71180181
4-(3,4-difluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 2800024
6-(2-fluoro-4-methylsulfonylphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180643
7-(2,3-difluorophenyl)-N-(3,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180451
6-(3-fluoro-4-iodophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 122494265
3-(4-bromo-3,5-difluorophenyl)pyridine
CID 164533968
6-(3-methoxyphenyl)-2-pyridin-3-yl-4-pyrrolidin-1-ylquinazoline
CID 141404533
6-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71274599

Frequently Asked Questions

What is the IUPAC name of 10-(3,4-difluorophenyl)-2-methyl-5-pyridin-3-yl-2,4,6-triazatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene?
The IUPAC name of 10-(3,4-difluorophenyl)-2-methyl-5-pyridin-3-yl-2,4,6-triazatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene (CID 123770946) is 10-(3,4-difluorophenyl)-2-methyl-5-pyridin-3-yl-2,4,6-triazatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene.
What is the SMILES notation for 10-(3,4-difluorophenyl)-2-methyl-5-pyridin-3-yl-2,4,6-triazatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene?
The canonical SMILES for 10-(3,4-difluorophenyl)-2-methyl-5-pyridin-3-yl-2,4,6-triazatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene is CN1c2nc(-c3cccnc3)nc3ccc(-c4ccc(F)c(F)c4)c1c23.
What is the InChIKey of 10-(3,4-difluorophenyl)-2-methyl-5-pyridin-3-yl-2,4,6-triazatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene?
The InChIKey is FBSLVPAWURDBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N4/c1-26-18-13(11-4-6-14(21)15(22)9-11)5-7-16-17(18)20(26)25-19(24-16)12-3-2-8-23-10-12/h2-10H,1H3.
What are the key properties of 10-(3,4-difluorophenyl)-2-methyl-5-pyridin-3-yl-2,4,6-triazatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene?
10-(3,4-difluorophenyl)-2-methyl-5-pyridin-3-yl-2,4,6-triazatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene has a molecular weight of 346.34 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,4-difluorophenyl)-2-methyl-5-pyridin-3-yl-2,4,6-triazatricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene is sourced from PubChem (CID 123770946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).