(1,5-dimethylpyrazol-4-yl)-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone

C21H22FN5O2 — CID 110270227

IUPAC(1,5-dimethylpyrazol-4-yl)-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCc1cc(Oc2ccccc2F)nc(C2CCCN2C(=O)c2cnn(C)c2C)n1
InChIInChI=1S/C21H22FN5O2/c1-13-11-19(29-18-9-5-4-7-16(18)22)25-20(24-13)17-8-6-10-27(17)21(28)15-12-23-26(3)14(15)2/h4-5,7,9,11-12,17H,6,8,10H2,1-3H3
InChIKeyQYBRGLJTGFSFRR-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.74
Rot. Bonds4

About (1,5-dimethylpyrazol-4-yl)-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone

(1,5-dimethylpyrazol-4-yl)-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 110270227) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID110270227
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC Name(1,5-dimethylpyrazol-4-yl)-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCc1cc(Oc2ccccc2F)nc(C2CCCN2C(=O)c2cnn(C)c2C)n1
InChIInChI=1S/C21H22FN5O2/c1-13-11-19(29-18-9-5-4-7-16(18)22)25-20(24-13)17-8-6-10-27(17)21(28)15-12-23-26(3)14(15)2/h4-5,7,9,11-12,17H,6,8,10H2,1-3H3
InChIKeyQYBRGLJTGFSFRR-UHFFFAOYSA-N
XLogP3.74
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 110270143
2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]acetic acid
CID 110258410
cyclopropyl-[(3R)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]methanone
CID 95822243
[(2R)-2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-[3-(imidazol-1-ylmethyl)phenyl]methanone
CID 129457642
[(2R)-2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 95844097
[2-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 110270298
2-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
CID 175657255
4-(2-fluorophenoxy)-6-methyl-2-[(2R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine
CID 95844253
2-(dimethylamino)-1-[(3R)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95844083
N-[2-[(2R)-2-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 95843955
1-[(3S)-3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95843653
1-[3-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 110270129

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone (CID 110270227) is (1,5-dimethylpyrazol-4-yl)-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone is Cc1cc(Oc2ccccc2F)nc(C2CCCN2C(=O)c2cnn(C)c2C)n1.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is QYBRGLJTGFSFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-13-11-19(29-18-9-5-4-7-16(18)22)25-20(24-13)17-8-6-10-27(17)21(28)15-12-23-26(3)14(15)2/h4-5,7,9,11-12,17H,6,8,10H2,1-3H3.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone?
(1,5-dimethylpyrazol-4-yl)-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 395.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)-[2-[4-(2-fluorophenoxy)-6-methylpyrimidin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110270227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).