1-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]piperazin-2-one

C22H22ClF3N4O2 — CID 51347812

IUPAC1-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]piperazin-2-one
SMILESO=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCN(C2C[C@@H]3C[C@@H]3C2)C(=O)C1
InChIInChI=1S/C22H22ClF3N4O2/c23-19-16-8-14(11-1-2-11)9-17(22(24,25)26)30(16)27-20(19)21(32)28-3-4-29(18(31)10-28)15-6-12-5-13(12)7-15/h8-9,11-13,15H,1-7,10H2/t12-,13+,15?
InChIKeyFXDAQUZCENFVKO-NNQSOWQGSA-N
MW466.89 g/mol
LogP3.97
Rot. Bonds3

About 1-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]piperazin-2-one

1-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]piperazin-2-one (PubChem CID 51347812) has the molecular formula C22H22ClF3N4O2 and a molecular weight of 466.89 g/mol. Its IUPAC name is 1-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name1-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]piperazin-2-one
PubChem CID51347812
Molecular FormulaC22H22ClF3N4O2
Molecular Weight466.89 g/mol
Exact Mass466.14
IUPAC Name1-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]piperazin-2-one
SMILESO=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCN(C2C[C@@H]3C[C@@H]3C2)C(=O)C1
InChIInChI=1S/C22H22ClF3N4O2/c23-19-16-8-14(11-1-2-11)9-17(22(24,25)26)30(16)27-20(19)21(32)28-3-4-29(18(31)10-28)15-6-12-5-13(12)7-15/h8-9,11-13,15H,1-7,10H2/t12-,13+,15?
InChIKeyFXDAQUZCENFVKO-NNQSOWQGSA-N
XLogP3.97
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.89
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]piperazin-2-one with MolForge

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Related Compounds

4-[3-Chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-(4-hydroxycyclohexyl)piperazin-2-one
CID 52917469
4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-[(1S,3S,4S,5S)-4-hydroxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one
CID 52917690
(3-Chloropyrazolo[1,5-a]pyridin-2-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
CID 57394859
4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-[(1R,3S,4R,5R)-4-hydroxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one
CID 52917688
3-[1-[3-Chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-4-piperidyl]oxazolidin-2-one
CID 67112325
4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-[(1S,3R,4S,5S)-4-hydroxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one
CID 67113626
5-Chloro-2-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide
CID 137412264
5-Chloro-2-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide
CID 137412271
5-Chloro-2-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-2-fluorophenyl]pyrrolo[1,2-b]pyridazine-7-carboxamide
CID 137412274
4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-[(1S,3S,4R,5S)-4-hydroxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one
CID 52917689
4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-[(1R,3R,4S,5R)-4-hydroxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one
CID 52917691
4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]-1-[(1R,3R,4R,5R)-4-hydroxy-3-bicyclo[3.1.0]hexanyl]piperazin-2-one
CID 52917975

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]piperazin-2-one?
The IUPAC name of 1-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]piperazin-2-one (CID 51347812) is 1-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]piperazin-2-one.
What is the SMILES notation for 1-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]piperazin-2-one?
The canonical SMILES for 1-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]piperazin-2-one is O=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCN(C2C[C@@H]3C[C@@H]3C2)C(=O)C1.
What is the InChIKey of 1-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]piperazin-2-one?
The InChIKey is FXDAQUZCENFVKO-NNQSOWQGSA-N. The full InChI is InChI=1S/C22H22ClF3N4O2/c23-19-16-8-14(11-1-2-11)9-17(22(24,25)26)30(16)27-20(19)21(32)28-3-4-29(18(31)10-28)15-6-12-5-13(12)7-15/h8-9,11-13,15H,1-7,10H2/t12-,13+,15?.
What are the key properties of 1-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]piperazin-2-one?
1-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]piperazin-2-one has a molecular weight of 466.89 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,5R)-3-bicyclo[3.1.0]hexanyl]-4-[3-chloro-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carbonyl]piperazin-2-one is sourced from PubChem (CID 51347812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).