4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-phenylpiperazin-2-one

C22H18ClF3N4O2 — CID 52917323

IUPAC4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-phenylpiperazin-2-one
SMILESO=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCN(c2ccccc2)C(=O)C1
InChIInChI=1S/C22H18ClF3N4O2/c23-19-16-10-14(13-6-7-13)11-17(22(24,25)26)30(16)27-20(19)21(32)28-8-9-29(18(31)12-28)15-4-2-1-3-5-15/h1-5,10-11,13H,6-9,12H2
InChIKeySIVKZCUPHZDCJD-UHFFFAOYSA-N
MW462.86 g/mol
LogP4.37
Rot. Bonds3

About 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-phenylpiperazin-2-one

4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-phenylpiperazin-2-one (PubChem CID 52917323) has the molecular formula C22H18ClF3N4O2 and a molecular weight of 462.86 g/mol. Its IUPAC name is 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-phenylpiperazin-2-one
PubChem CID52917323
Molecular FormulaC22H18ClF3N4O2
Molecular Weight462.86 g/mol
Exact Mass462.11
IUPAC Name4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-phenylpiperazin-2-one
SMILESO=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCN(c2ccccc2)C(=O)C1
InChIInChI=1S/C22H18ClF3N4O2/c23-19-16-10-14(13-6-7-13)11-17(22(24,25)26)30(16)27-20(19)21(32)28-8-9-29(18(31)12-28)15-4-2-1-3-5-15/h1-5,10-11,13H,6-9,12H2
InChIKeySIVKZCUPHZDCJD-UHFFFAOYSA-N
XLogP4.37
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.86
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-phenylpiperazin-2-one?
The IUPAC name of 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-phenylpiperazin-2-one (CID 52917323) is 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-phenylpiperazin-2-one.
What is the SMILES notation for 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-phenylpiperazin-2-one?
The canonical SMILES for 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-phenylpiperazin-2-one is O=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCN(c2ccccc2)C(=O)C1.
What is the InChIKey of 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-phenylpiperazin-2-one?
The InChIKey is SIVKZCUPHZDCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N4O2/c23-19-16-10-14(13-6-7-13)11-17(22(24,25)26)30(16)27-20(19)21(32)28-8-9-29(18(31)12-28)15-4-2-1-3-5-15/h1-5,10-11,13H,6-9,12H2.
What are the key properties of 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-phenylpiperazin-2-one?
4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-phenylpiperazin-2-one has a molecular weight of 462.86 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-phenylpiperazin-2-one is sourced from PubChem (CID 52917323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).