1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-3-phenylbutan-1-one

C25H28N6O — CID 172585301

IUPAC1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-3-phenylbutan-1-one
SMILESCC(CC(=O)N1CCN(c2cnn3cc(-c4cnn(C)c4)ccc23)CC1)c1ccccc1
InChIInChI=1S/C25H28N6O/c1-19(20-6-4-3-5-7-20)14-25(32)30-12-10-29(11-13-30)24-16-27-31-18-21(8-9-23(24)31)22-15-26-28(2)17-22/h3-9,15-19H,10-14H2,1-2H3
InChIKeyIDQFRXFNEIZUSD-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.58
Rot. Bonds5

About 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-3-phenylbutan-1-one

1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-3-phenylbutan-1-one (PubChem CID 172585301) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-3-phenylbutan-1-one.

Molecular Properties

Compound Name1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-3-phenylbutan-1-one
PubChem CID172585301
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC Name1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-3-phenylbutan-1-one
SMILESCC(CC(=O)N1CCN(c2cnn3cc(-c4cnn(C)c4)ccc23)CC1)c1ccccc1
InChIInChI=1S/C25H28N6O/c1-19(20-6-4-3-5-7-20)14-25(32)30-12-10-29(11-13-30)24-16-27-31-18-21(8-9-23(24)31)22-15-26-28(2)17-22/h3-9,15-19H,10-14H2,1-2H3
InChIKeyIDQFRXFNEIZUSD-UHFFFAOYSA-N
XLogP3.58
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-3-phenylbutan-1-one?
The IUPAC name of 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-3-phenylbutan-1-one (CID 172585301) is 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-3-phenylbutan-1-one.
What is the SMILES notation for 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-3-phenylbutan-1-one?
The canonical SMILES for 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-3-phenylbutan-1-one is CC(CC(=O)N1CCN(c2cnn3cc(-c4cnn(C)c4)ccc23)CC1)c1ccccc1.
What is the InChIKey of 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-3-phenylbutan-1-one?
The InChIKey is IDQFRXFNEIZUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c1-19(20-6-4-3-5-7-20)14-25(32)30-12-10-29(11-13-30)24-16-27-31-18-21(8-9-23(24)31)22-15-26-28(2)17-22/h3-9,15-19H,10-14H2,1-2H3.
What are the key properties of 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-3-phenylbutan-1-one?
1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-3-phenylbutan-1-one has a molecular weight of 428.54 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-3-phenylbutan-1-one is sourced from PubChem (CID 172585301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).