5-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indazol-6-yl)triazolo[1,5-a]pyridine

C23H15Cl2N7 — CID 146433323

IUPAC5-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indazol-6-yl)triazolo[1,5-a]pyridine
SMILESClc1ccc(Cn2nccc2-c2ccn3nnc(-c4ccc5cn[nH]c5c4)c3c2)c(Cl)c1
InChIInChI=1S/C23H15Cl2N7/c24-18-4-3-17(19(25)11-18)13-32-21(5-7-27-32)14-6-8-31-22(10-14)23(29-30-31)15-1-2-16-12-26-28-20(16)9-15/h1-12H,13H2,(H,26,28)
InChIKeyPURWKAKRRIUCSR-UHFFFAOYSA-N
MW460.33 g/mol
LogP5.49
Rot. Bonds4

About 5-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indazol-6-yl)triazolo[1,5-a]pyridine

5-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indazol-6-yl)triazolo[1,5-a]pyridine (PubChem CID 146433323) has the molecular formula C23H15Cl2N7 and a molecular weight of 460.33 g/mol. Its IUPAC name is 5-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indazol-6-yl)triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indazol-6-yl)triazolo[1,5-a]pyridine
PubChem CID146433323
Molecular FormulaC23H15Cl2N7
Molecular Weight460.33 g/mol
Exact Mass459.08
IUPAC Name5-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indazol-6-yl)triazolo[1,5-a]pyridine
SMILESClc1ccc(Cn2nccc2-c2ccn3nnc(-c4ccc5cn[nH]c5c4)c3c2)c(Cl)c1
InChIInChI=1S/C23H15Cl2N7/c24-18-4-3-17(19(25)11-18)13-32-21(5-7-27-32)14-6-8-31-22(10-14)23(29-30-31)15-1-2-16-12-26-28-20(16)9-15/h1-12H,13H2,(H,26,28)
InChIKeyPURWKAKRRIUCSR-UHFFFAOYSA-N
XLogP5.49
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.33
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indazol-6-yl)triazolo[1,5-a]pyridine?
The IUPAC name of 5-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indazol-6-yl)triazolo[1,5-a]pyridine (CID 146433323) is 5-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indazol-6-yl)triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indazol-6-yl)triazolo[1,5-a]pyridine?
The canonical SMILES for 5-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indazol-6-yl)triazolo[1,5-a]pyridine is Clc1ccc(Cn2nccc2-c2ccn3nnc(-c4ccc5cn[nH]c5c4)c3c2)c(Cl)c1.
What is the InChIKey of 5-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indazol-6-yl)triazolo[1,5-a]pyridine?
The InChIKey is PURWKAKRRIUCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2N7/c24-18-4-3-17(19(25)11-18)13-32-21(5-7-27-32)14-6-8-31-22(10-14)23(29-30-31)15-1-2-16-12-26-28-20(16)9-15/h1-12H,13H2,(H,26,28).
What are the key properties of 5-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indazol-6-yl)triazolo[1,5-a]pyridine?
5-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indazol-6-yl)triazolo[1,5-a]pyridine has a molecular weight of 460.33 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indazol-6-yl)triazolo[1,5-a]pyridine is sourced from PubChem (CID 146433323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).