2-acetyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide

C16H12Cl2N4O3 — CID 59227406

IUPAC2-acetyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(C(C)=O)nn12
InChIInChI=1S/C16H12Cl2N4O3/c1-8(23)12-5-13-9(3-4-14(25-2)22(13)21-12)16(24)20-15-10(17)6-19-7-11(15)18/h3-7H,1-2H3,(H,19,20,24)
InChIKeyWPIPZOUMYNFJRO-UHFFFAOYSA-N
MW379.20 g/mol
LogP3.50
Rot. Bonds4

About 2-acetyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide

2-acetyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide (PubChem CID 59227406) has the molecular formula C16H12Cl2N4O3 and a molecular weight of 379.20 g/mol. Its IUPAC name is 2-acetyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-acetyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide
PubChem CID59227406
Molecular FormulaC16H12Cl2N4O3
Molecular Weight379.20 g/mol
Exact Mass378.03
IUPAC Name2-acetyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(C(C)=O)nn12
InChIInChI=1S/C16H12Cl2N4O3/c1-8(23)12-5-13-9(3-4-14(25-2)22(13)21-12)16(24)20-15-10(17)6-19-7-11(15)18/h3-7H,1-2H3,(H,19,20,24)
InChIKeyWPIPZOUMYNFJRO-UHFFFAOYSA-N
XLogP3.50
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide?
The IUPAC name of 2-acetyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide (CID 59227406) is 2-acetyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide.
What is the SMILES notation for 2-acetyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide?
The canonical SMILES for 2-acetyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide is COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(C(C)=O)nn12.
What is the InChIKey of 2-acetyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide?
The InChIKey is WPIPZOUMYNFJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O3/c1-8(23)12-5-13-9(3-4-14(25-2)22(13)21-12)16(24)20-15-10(17)6-19-7-11(15)18/h3-7H,1-2H3,(H,19,20,24).
What are the key properties of 2-acetyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide?
2-acetyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide has a molecular weight of 379.20 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide is sourced from PubChem (CID 59227406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).