[(2R)-2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

C22H24FN5O3 — CID 124958181

IUPAC[(2R)-2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCC2)N1CCO[C@@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1
InChIInChI=1S/C22H24FN5O3/c23-14-4-6-16(7-5-14)30-10-8-15-12-19(26-24-15)20-13-28(9-11-31-20)22(29)21-17-2-1-3-18(17)25-27-21/h4-7,12,20H,1-3,8-11,13H2,(H,24,26)(H,25,27)/t20-/m1/s1
InChIKeyGELJUONDXJMNIQ-HXUWFJFHSA-N
MW425.46 g/mol
LogP2.60
Rot. Bonds6

About [(2R)-2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

[(2R)-2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (PubChem CID 124958181) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is [(2R)-2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
PubChem CID124958181
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name[(2R)-2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCC2)N1CCO[C@@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1
InChIInChI=1S/C22H24FN5O3/c23-14-4-6-16(7-5-14)30-10-8-15-12-19(26-24-15)20-13-28(9-11-31-20)22(29)21-17-2-1-3-18(17)25-27-21/h4-7,12,20H,1-3,8-11,13H2,(H,24,26)(H,25,27)/t20-/m1/s1
InChIKeyGELJUONDXJMNIQ-HXUWFJFHSA-N
XLogP2.60
TPSA96.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 124971507
(2-phenylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110629813
[2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
CID 127250848
1-[(2S)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]ethanone
CID 124941015
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 128964973
[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 94936140
(6-amino-3-pyridinyl)-[(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]methanone
CID 125004502
[2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-pyridin-3-ylmethanone
CID 127252255
[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110118939
[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 110119292
(1,3-dimethylpyrazol-4-yl)-[(2R)-2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]morpholin-4-yl]methanone
CID 124960266
1-[(2R)-2-[5-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]ethanone
CID 125002810

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The IUPAC name of [(2R)-2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (CID 124958181) is [(2R)-2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.
What is the SMILES notation for [(2R)-2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The canonical SMILES for [(2R)-2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is O=C(c1n[nH]c2c1CCC2)N1CCO[C@@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1.
What is the InChIKey of [(2R)-2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The InChIKey is GELJUONDXJMNIQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H24FN5O3/c23-14-4-6-16(7-5-14)30-10-8-15-12-19(26-24-15)20-13-28(9-11-31-20)22(29)21-17-2-1-3-18(17)25-27-21/h4-7,12,20H,1-3,8-11,13H2,(H,24,26)(H,25,27)/t20-/m1/s1.
What are the key properties of [(2R)-2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
[(2R)-2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone has a molecular weight of 425.46 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is sourced from PubChem (CID 124958181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).