[1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone

C24H29FN6O2 — CID 30852659

IUPAC[1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
SMILESCOCCN1CCN(C(=O)c2cnn(-c3nccc(-c4ccccc4F)n3)c2C(C)C)CC1
InChIInChI=1S/C24H29FN6O2/c1-17(2)22-19(23(32)30-12-10-29(11-13-30)14-15-33-3)16-27-31(22)24-26-9-8-21(28-24)18-6-4-5-7-20(18)25/h4-9,16-17H,10-15H2,1-3H3
InChIKeyIYGATOLZRBJFDC-UHFFFAOYSA-N
MW452.53 g/mol
LogP3.00
Rot. Bonds7

About [1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone

[1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone (PubChem CID 30852659) has the molecular formula C24H29FN6O2 and a molecular weight of 452.53 g/mol. Its IUPAC name is [1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
PubChem CID30852659
Molecular FormulaC24H29FN6O2
Molecular Weight452.53 g/mol
Exact Mass452.23
IUPAC Name[1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
SMILESCOCCN1CCN(C(=O)c2cnn(-c3nccc(-c4ccccc4F)n3)c2C(C)C)CC1
InChIInChI=1S/C24H29FN6O2/c1-17(2)22-19(23(32)30-12-10-29(11-13-30)14-15-33-3)16-27-31(22)24-26-9-8-21(28-24)18-6-4-5-7-20(18)25/h4-9,16-17H,10-15H2,1-3H3
InChIKeyIYGATOLZRBJFDC-UHFFFAOYSA-N
XLogP3.00
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]methanone
CID 26321648
(4-methylpiperazin-1-yl)-[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone
CID 118754782
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carboxamide
CID 42375886
1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)pyrazole-4-carboxamide
CID 26361722
[4-(2-methylsulfonylethyl)piperazin-1-yl]-(5-propan-2-yl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 56572262
5-cyclopropyl-N-(2-methoxyethyl)-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazole-4-carboxamide
CID 42247667
[5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 26404737
[3-(diethylamino)pyrrolidin-1-yl]-[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]methanone
CID 45240739
[1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 26348088
[5-cyclopropyl-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42472051
[1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]-(4-phenylpiperidin-1-yl)methanone
CID 42359038
[5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 45182383

Frequently Asked Questions

What is the IUPAC name of [1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The IUPAC name of [1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone (CID 30852659) is [1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone is COCCN1CCN(C(=O)c2cnn(-c3nccc(-c4ccccc4F)n3)c2C(C)C)CC1.
What is the InChIKey of [1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The InChIKey is IYGATOLZRBJFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O2/c1-17(2)22-19(23(32)30-12-10-29(11-13-30)14-15-33-3)16-27-31(22)24-26-9-8-21(28-24)18-6-4-5-7-20(18)25/h4-9,16-17H,10-15H2,1-3H3.
What are the key properties of [1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
[1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone has a molecular weight of 452.53 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 30852659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).