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

C23H20ClF3N4O3 — CID 52917248

IUPAC4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-hydroxyphenyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)N(c2ccc(O)cc2)CCN1C(=O)c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl
InChIInChI=1S/C23H20ClF3N4O3/c1-12-21(33)30(15-4-6-16(32)7-5-15)9-8-29(12)22(34)20-19(24)17-10-14(13-2-3-13)11-18(23(25,26)27)31(17)28-20/h4-7,10-13,32H,2-3,8-9H2,1H3
InChIKeySWTFEEUCMWYWGO-UHFFFAOYSA-N
MW492.89 g/mol
LogP4.47
Rot. Bonds3

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

4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-hydroxyphenyl)-3-methylpiperazin-2-one (PubChem CID 52917248) has the molecular formula C23H20ClF3N4O3 and a molecular weight of 492.89 g/mol. Its IUPAC name is 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-hydroxyphenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-hydroxyphenyl)-3-methylpiperazin-2-one
PubChem CID52917248
Molecular FormulaC23H20ClF3N4O3
Molecular Weight492.89 g/mol
Exact Mass492.12
IUPAC Name4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-hydroxyphenyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)N(c2ccc(O)cc2)CCN1C(=O)c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl
InChIInChI=1S/C23H20ClF3N4O3/c1-12-21(33)30(15-4-6-16(32)7-5-15)9-8-29(12)22(34)20-19(24)17-10-14(13-2-3-13)11-18(23(25,26)27)31(17)28-20/h4-7,10-13,32H,2-3,8-9H2,1H3
InChIKeySWTFEEUCMWYWGO-UHFFFAOYSA-N
XLogP4.47
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.89
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(4-hydroxyphenyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-hydroxyphenyl)-3-methylpiperazin-2-one (CID 52917248) is 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-hydroxyphenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-hydroxyphenyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-hydroxyphenyl)-3-methylpiperazin-2-one is CC1C(=O)N(c2ccc(O)cc2)CCN1C(=O)c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl.
What is the InChIKey of 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-hydroxyphenyl)-3-methylpiperazin-2-one?
The InChIKey is SWTFEEUCMWYWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N4O3/c1-12-21(33)30(15-4-6-16(32)7-5-15)9-8-29(12)22(34)20-19(24)17-10-14(13-2-3-13)11-18(23(25,26)27)31(17)28-20/h4-7,10-13,32H,2-3,8-9H2,1H3.
What are the key properties of 4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-hydroxyphenyl)-3-methylpiperazin-2-one?
4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-hydroxyphenyl)-3-methylpiperazin-2-one has a molecular weight of 492.89 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 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-(4-hydroxyphenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 52917248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).