5-(2,6-difluorophenyl)-1-[6-(1H-pyrazol-4-yl)-2-pyridinyl]-3,4-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene

C24H19F2N5 — CID 135297409

IUPAC5-(2,6-difluorophenyl)-1-[6-(1H-pyrazol-4-yl)-2-pyridinyl]-3,4-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene
SMILESFc1cccc(F)c1-c1cc2c(nn1)C1(c3cccc(-c4cn[nH]c4)n3)CCC2CC1
InChIInChI=1S/C24H19F2N5/c25-17-3-1-4-18(26)22(17)20-11-16-14-7-9-24(10-8-14,23(16)31-30-20)21-6-2-5-19(29-21)15-12-27-28-13-15/h1-6,11-14H,7-10H2,(H,27,28)
InChIKeyAMWPXANHXXUMJS-UHFFFAOYSA-N
MW415.45 g/mol
LogP5.16
Rot. Bonds3

About 5-(2,6-difluorophenyl)-1-[6-(1H-pyrazol-4-yl)-2-pyridinyl]-3,4-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene

5-(2,6-difluorophenyl)-1-[6-(1H-pyrazol-4-yl)-2-pyridinyl]-3,4-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene (PubChem CID 135297409) has the molecular formula C24H19F2N5 and a molecular weight of 415.45 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-1-[6-(1H-pyrazol-4-yl)-2-pyridinyl]-3,4-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-1-[6-(1H-pyrazol-4-yl)-2-pyridinyl]-3,4-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene
PubChem CID135297409
Molecular FormulaC24H19F2N5
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name5-(2,6-difluorophenyl)-1-[6-(1H-pyrazol-4-yl)-2-pyridinyl]-3,4-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene
SMILESFc1cccc(F)c1-c1cc2c(nn1)C1(c3cccc(-c4cn[nH]c4)n3)CCC2CC1
InChIInChI=1S/C24H19F2N5/c25-17-3-1-4-18(26)22(17)20-11-16-14-7-9-24(10-8-14,23(16)31-30-20)21-6-2-5-19(29-21)15-12-27-28-13-15/h1-6,11-14H,7-10H2,(H,27,28)
InChIKeyAMWPXANHXXUMJS-UHFFFAOYSA-N
XLogP5.16
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.45
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2,6-difluorophenyl)-1-[6-(1H-pyrazol-4-yl)-2-pyridinyl]-3,4-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene with MolForge

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Related Compounds

2-(4-fluorophenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 9858084
4-(3-(3-(trifluoromethyl)phenyl)-1H-pyrazol-4-yl)quinoline
CID 4464598
2-[4-(trifluoromethyl)phenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9925372
4-(3-(5-fluoropyridin-2-yl)-1H-pyrazol-4-yl)quinoline
CID 11033585
2-[3-(trifluoromethyl)phenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 11588676
2-[2-fluorophenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 11638261
4-(3-(4-fluorophenyl)-5-(piperidin-3-yl)-1H-pyrazol-4-yl)pyridine
CID 22037206
4-(3-(4-fluorophenyl)-5-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridine
CID 22037479
16,16-bis(1H-pyrazol-5-yl)-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene chloride
CID 15195253
N-(3,4-difluorophenyl)-7-(1-piperidin-4-ylpyrazol-4-yl)quinolin-4-amine
CID 137641084
N-(2-fluorophenyl)-7-(1-piperidin-4-ylpyrazol-4-yl)quinolin-4-amine
CID 137647753
N-(3-fluorophenyl)-7-(1-piperidin-4-ylpyrazol-4-yl)quinolin-4-amine
CID 137654891

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-1-[6-(1H-pyrazol-4-yl)-2-pyridinyl]-3,4-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
The IUPAC name of 5-(2,6-difluorophenyl)-1-[6-(1H-pyrazol-4-yl)-2-pyridinyl]-3,4-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene (CID 135297409) is 5-(2,6-difluorophenyl)-1-[6-(1H-pyrazol-4-yl)-2-pyridinyl]-3,4-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene.
What is the SMILES notation for 5-(2,6-difluorophenyl)-1-[6-(1H-pyrazol-4-yl)-2-pyridinyl]-3,4-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
The canonical SMILES for 5-(2,6-difluorophenyl)-1-[6-(1H-pyrazol-4-yl)-2-pyridinyl]-3,4-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene is Fc1cccc(F)c1-c1cc2c(nn1)C1(c3cccc(-c4cn[nH]c4)n3)CCC2CC1.
What is the InChIKey of 5-(2,6-difluorophenyl)-1-[6-(1H-pyrazol-4-yl)-2-pyridinyl]-3,4-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
The InChIKey is AMWPXANHXXUMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5/c25-17-3-1-4-18(26)22(17)20-11-16-14-7-9-24(10-8-14,23(16)31-30-20)21-6-2-5-19(29-21)15-12-27-28-13-15/h1-6,11-14H,7-10H2,(H,27,28).
What are the key properties of 5-(2,6-difluorophenyl)-1-[6-(1H-pyrazol-4-yl)-2-pyridinyl]-3,4-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene?
5-(2,6-difluorophenyl)-1-[6-(1H-pyrazol-4-yl)-2-pyridinyl]-3,4-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene has a molecular weight of 415.45 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-1-[6-(1H-pyrazol-4-yl)-2-pyridinyl]-3,4-diazatricyclo[6.2.2.02,7]dodeca-2,4,6-triene is sourced from PubChem (CID 135297409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).