3-[2-[(3,4-difluorophenyl)methyl]-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine

C18H12F2N8 — CID 166320997

IUPAC3-[2-[(3,4-difluorophenyl)methyl]-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine
SMILESFc1ccc(Cn2nc(-c3ncn[nH]3)nc2-c2cnn3ccccc23)cc1F
InChIInChI=1S/C18H12F2N8/c19-13-5-4-11(7-14(13)20)9-28-18(24-17(26-28)16-21-10-22-25-16)12-8-23-27-6-2-1-3-15(12)27/h1-8,10H,9H2,(H,21,22,25)
InChIKeyLRBCMCHSNZBOCZ-UHFFFAOYSA-N
MW378.35 g/mol
LogP2.70
Rot. Bonds4

About 3-[2-[(3,4-difluorophenyl)methyl]-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine

3-[2-[(3,4-difluorophenyl)methyl]-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine (PubChem CID 166320997) has the molecular formula C18H12F2N8 and a molecular weight of 378.35 g/mol. Its IUPAC name is 3-[2-[(3,4-difluorophenyl)methyl]-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[2-[(3,4-difluorophenyl)methyl]-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine
PubChem CID166320997
Molecular FormulaC18H12F2N8
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC Name3-[2-[(3,4-difluorophenyl)methyl]-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine
SMILESFc1ccc(Cn2nc(-c3ncn[nH]3)nc2-c2cnn3ccccc23)cc1F
InChIInChI=1S/C18H12F2N8/c19-13-5-4-11(7-14(13)20)9-28-18(24-17(26-28)16-21-10-22-25-16)12-8-23-27-6-2-1-3-15(12)27/h1-8,10H,9H2,(H,21,22,25)
InChIKeyLRBCMCHSNZBOCZ-UHFFFAOYSA-N
XLogP2.70
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3,4-difluorophenyl)methyl]-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-[2-[(3,4-difluorophenyl)methyl]-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine (CID 166320997) is 3-[2-[(3,4-difluorophenyl)methyl]-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-[2-[(3,4-difluorophenyl)methyl]-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-[2-[(3,4-difluorophenyl)methyl]-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine is Fc1ccc(Cn2nc(-c3ncn[nH]3)nc2-c2cnn3ccccc23)cc1F.
What is the InChIKey of 3-[2-[(3,4-difluorophenyl)methyl]-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine?
The InChIKey is LRBCMCHSNZBOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N8/c19-13-5-4-11(7-14(13)20)9-28-18(24-17(26-28)16-21-10-22-25-16)12-8-23-27-6-2-1-3-15(12)27/h1-8,10H,9H2,(H,21,22,25).
What are the key properties of 3-[2-[(3,4-difluorophenyl)methyl]-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine?
3-[2-[(3,4-difluorophenyl)methyl]-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine has a molecular weight of 378.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3,4-difluorophenyl)methyl]-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 166320997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).