2-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone

C24H31F2N7O2 — CID 161283404

IUPAC2-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
SMILESCC(C)N1CCC(n2cc(CC(=O)c3cnn4ccc(N5CCOCC5)nc34)c(C(F)F)n2)CC1
InChIInChI=1S/C24H31F2N7O2/c1-16(2)30-6-3-18(4-7-30)33-15-17(22(29-33)23(25)26)13-20(34)19-14-27-32-8-5-21(28-24(19)32)31-9-11-35-12-10-31/h5,8,14-16,18,23H,3-4,6-7,9-13H2,1-2H3
InChIKeyVFJXQBQRKRLOCJ-UHFFFAOYSA-N
MW487.56 g/mol
LogP3.17
Rot. Bonds7

About 2-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone

2-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone (PubChem CID 161283404) has the molecular formula C24H31F2N7O2 and a molecular weight of 487.56 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
PubChem CID161283404
Molecular FormulaC24H31F2N7O2
Molecular Weight487.56 g/mol
Exact Mass487.25
IUPAC Name2-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
SMILESCC(C)N1CCC(n2cc(CC(=O)c3cnn4ccc(N5CCOCC5)nc34)c(C(F)F)n2)CC1
InChIInChI=1S/C24H31F2N7O2/c1-16(2)30-6-3-18(4-7-30)33-15-17(22(29-33)23(25)26)13-20(34)19-14-27-32-8-5-21(28-24(19)32)31-9-11-35-12-10-31/h5,8,14-16,18,23H,3-4,6-7,9-13H2,1-2H3
InChIKeyVFJXQBQRKRLOCJ-UHFFFAOYSA-N
XLogP3.17
TPSA80.79 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone with MolForge

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Related Compounds

7-[1-(2-Methoxyethyl)piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118739933
US20240368194, Example 3
CID 172879065
US20240368194, Example 4
CID 172879066
[7-(Difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 16669969
[5-Cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-A]pyrimidin-3-YL](2,6-dimethylmorpholino)methanone
CID 4768517
[5-(1,3-dimethyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl](morpholin-4-yl)methanone
CID 19575864
2-(7-Morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanone
CID 58207111
2-(2-Methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 58207314
2-[3-(3,3-Difluoropiperidin-1-yl)-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylbutan-1-one
CID 123672887
1-[5-[(5S)-5-amino-3,3-difluorocyclohexyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-[2-(difluoromethyl)-5-methylpyrazol-3-yl]ethanone
CID 138727726
Morpholin-4-yl-[5-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 140002712
Morpholin-4-yl-[5-(2-morpholin-4-ylpyridin-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 140002723

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone?
The IUPAC name of 2-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone (CID 161283404) is 2-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone.
What is the SMILES notation for 2-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone?
The canonical SMILES for 2-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone is CC(C)N1CCC(n2cc(CC(=O)c3cnn4ccc(N5CCOCC5)nc34)c(C(F)F)n2)CC1.
What is the InChIKey of 2-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone?
The InChIKey is VFJXQBQRKRLOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F2N7O2/c1-16(2)30-6-3-18(4-7-30)33-15-17(22(29-33)23(25)26)13-20(34)19-14-27-32-8-5-21(28-24(19)32)31-9-11-35-12-10-31/h5,8,14-16,18,23H,3-4,6-7,9-13H2,1-2H3.
What are the key properties of 2-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone?
2-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone has a molecular weight of 487.56 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone is sourced from PubChem (CID 161283404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).