6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-propylpyridazin-3-one

C20H18N4O — CID 10544406

IUPAC6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-propylpyridazin-3-one
SMILESCCCn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O
InChIInChI=1S/C20H18N4O/c1-2-13-24-18(25)12-11-16(21-24)19-17-10-6-7-14-23(17)22-20(19)15-8-4-3-5-9-15/h3-12,14H,2,13H2,1H3
InChIKeyATTQDJZYFIDUQX-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.63
Rot. Bonds4

About 6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-propylpyridazin-3-one

6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-propylpyridazin-3-one (PubChem CID 10544406) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-propylpyridazin-3-one
PubChem CID10544406
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-propylpyridazin-3-one
SMILESCCCn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O
InChIInChI=1S/C20H18N4O/c1-2-13-24-18(25)12-11-16(21-24)19-17-10-6-7-14-23(17)22-20(19)15-8-4-3-5-9-15/h3-12,14H,2,13H2,1H3
InChIKeyATTQDJZYFIDUQX-UHFFFAOYSA-N
XLogP3.63
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-propylpyridazin-3-one?
The IUPAC name of 6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-propylpyridazin-3-one (CID 10544406) is 6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-propylpyridazin-3-one.
What is the SMILES notation for 6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-propylpyridazin-3-one?
The canonical SMILES for 6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-propylpyridazin-3-one is CCCn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O.
What is the InChIKey of 6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-propylpyridazin-3-one?
The InChIKey is ATTQDJZYFIDUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-2-13-24-18(25)12-11-16(21-24)19-17-10-6-7-14-23(17)22-20(19)15-8-4-3-5-9-15/h3-12,14H,2,13H2,1H3.
What are the key properties of 6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-propylpyridazin-3-one?
6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-propylpyridazin-3-one has a molecular weight of 330.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-2-propylpyridazin-3-one is sourced from PubChem (CID 10544406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).