4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]-1,8-naphthyridine

C22H16N6O — CID 58404854

IUPAC4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]-1,8-naphthyridine
SMILESCOc1cc(-c2cnn(C)c2)cn2ncc(C#Cc3ccnc4ncccc34)c12
InChIInChI=1S/C22H16N6O/c1-27-13-18(12-25-27)17-10-20(29-2)21-16(11-26-28(21)14-17)6-5-15-7-9-24-22-19(15)4-3-8-23-22/h3-4,7-14H,1-2H3
InChIKeyZPPZQVODJCIXCY-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.09
Rot. Bonds2

About 4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]-1,8-naphthyridine

4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]-1,8-naphthyridine (PubChem CID 58404854) has the molecular formula C22H16N6O and a molecular weight of 380.41 g/mol. Its IUPAC name is 4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]-1,8-naphthyridine.

Molecular Properties

Compound Name4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]-1,8-naphthyridine
PubChem CID58404854
Molecular FormulaC22H16N6O
Molecular Weight380.41 g/mol
Exact Mass380.14
IUPAC Name4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]-1,8-naphthyridine
SMILESCOc1cc(-c2cnn(C)c2)cn2ncc(C#Cc3ccnc4ncccc34)c12
InChIInChI=1S/C22H16N6O/c1-27-13-18(12-25-27)17-10-20(29-2)21-16(11-26-28(21)14-17)6-5-15-7-9-24-22-19(15)4-3-8-23-22/h3-4,7-14H,1-2H3
InChIKeyZPPZQVODJCIXCY-UHFFFAOYSA-N
XLogP3.09
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]-1,8-naphthyridine?
The IUPAC name of 4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]-1,8-naphthyridine (CID 58404854) is 4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]-1,8-naphthyridine.
What is the SMILES notation for 4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]-1,8-naphthyridine?
The canonical SMILES for 4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]-1,8-naphthyridine is COc1cc(-c2cnn(C)c2)cn2ncc(C#Cc3ccnc4ncccc34)c12.
What is the InChIKey of 4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]-1,8-naphthyridine?
The InChIKey is ZPPZQVODJCIXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O/c1-27-13-18(12-25-27)17-10-20(29-2)21-16(11-26-28(21)14-17)6-5-15-7-9-24-22-19(15)4-3-8-23-22/h3-4,7-14H,1-2H3.
What are the key properties of 4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]-1,8-naphthyridine?
4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]-1,8-naphthyridine has a molecular weight of 380.41 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]-1,8-naphthyridine is sourced from PubChem (CID 58404854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).