[2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone

C22H23F2N5O3 — CID 127250848

IUPAC[2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
SMILESCc1ncc(C(=O)N2CCOC(c3cc(CCOc4ccc(F)c(F)c4)[nH]n3)C2)c(C)n1
InChIInChI=1S/C22H23F2N5O3/c1-13-17(11-25-14(2)26-13)22(30)29-6-8-32-21(12-29)20-9-15(27-28-20)5-7-31-16-3-4-18(23)19(24)10-16/h3-4,9-11,21H,5-8,12H2,1-2H3,(H,27,28)
InChIKeyRNCRVQHLEAJWBF-UHFFFAOYSA-N
MW443.45 g/mol
LogP2.93
Rot. Bonds6

About [2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone

[2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone (PubChem CID 127250848) has the molecular formula C22H23F2N5O3 and a molecular weight of 443.45 g/mol. Its IUPAC name is [2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
PubChem CID127250848
Molecular FormulaC22H23F2N5O3
Molecular Weight443.45 g/mol
Exact Mass443.18
IUPAC Name[2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
SMILESCc1ncc(C(=O)N2CCOC(c3cc(CCOc4ccc(F)c(F)c4)[nH]n3)C2)c(C)n1
InChIInChI=1S/C22H23F2N5O3/c1-13-17(11-25-14(2)26-13)22(30)29-6-8-32-21(12-29)20-9-15(27-28-20)5-7-31-16-3-4-18(23)19(24)10-16/h3-4,9-11,21H,5-8,12H2,1-2H3,(H,27,28)
InChIKeyRNCRVQHLEAJWBF-UHFFFAOYSA-N
XLogP2.93
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1,3-dimethylpyrazol-4-yl)-[(2R)-2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]morpholin-4-yl]methanone
CID 124960266
(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-dimethylpyrimidin-5-yl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 124956680
[(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
1-[(2S)-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]ethanone
CID 124941015
1-[2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone
CID 127250836
1-[2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 127250885
[2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 127250799
(2-amino-4-methylpyrimidin-5-yl)-[(3S)-3-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone
CID 95831641
(2-amino-4-methylpyrimidin-5-yl)-[3-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methanone
CID 110261421
(2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]methanone
CID 110115620

Frequently Asked Questions

What is the IUPAC name of [2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone?
The IUPAC name of [2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone (CID 127250848) is [2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone.
What is the SMILES notation for [2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone?
The canonical SMILES for [2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone is Cc1ncc(C(=O)N2CCOC(c3cc(CCOc4ccc(F)c(F)c4)[nH]n3)C2)c(C)n1.
What is the InChIKey of [2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone?
The InChIKey is RNCRVQHLEAJWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O3/c1-13-17(11-25-14(2)26-13)22(30)29-6-8-32-21(12-29)20-9-15(27-28-20)5-7-31-16-3-4-18(23)19(24)10-16/h3-4,9-11,21H,5-8,12H2,1-2H3,(H,27,28).
What are the key properties of [2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone?
[2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone has a molecular weight of 443.45 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone is sourced from PubChem (CID 127250848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).