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

C25H32F2N6O2 — CID 161375871

IUPAC2-[5-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
SMILESCC(C)C1CCC(n2ncc(CC(=O)c3cnn4ccc(N5CCOCC5)nc34)c2C(F)F)CC1
InChIInChI=1S/C25H32F2N6O2/c1-16(2)17-3-5-19(6-4-17)33-23(24(26)27)18(14-29-33)13-21(34)20-15-28-32-8-7-22(30-25(20)32)31-9-11-35-12-10-31/h7-8,14-17,19,24H,3-6,9-13H2,1-2H3
InChIKeyVRBLPRWXVCGYBJ-UHFFFAOYSA-N
MW486.57 g/mol
LogP4.51
Rot. Bonds7

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

2-[5-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone (PubChem CID 161375871) has the molecular formula C25H32F2N6O2 and a molecular weight of 486.57 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
PubChem CID161375871
Molecular FormulaC25H32F2N6O2
Molecular Weight486.57 g/mol
Exact Mass486.26
IUPAC Name2-[5-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
SMILESCC(C)C1CCC(n2ncc(CC(=O)c3cnn4ccc(N5CCOCC5)nc34)c2C(F)F)CC1
InChIInChI=1S/C25H32F2N6O2/c1-16(2)17-3-5-19(6-4-17)33-23(24(26)27)18(14-29-33)13-21(34)20-15-28-32-8-7-22(30-25(20)32)31-9-11-35-12-10-31/h7-8,14-17,19,24H,3-6,9-13H2,1-2H3
InChIKeyVRBLPRWXVCGYBJ-UHFFFAOYSA-N
XLogP4.51
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

US20240368194, Example 3
CID 172879065
US20240368194, Example 4
CID 172879066
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
1-[5-(4-Methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-morpholin-4-ylethanone
CID 140064343
2-Morpholin-4-yl-1-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 140064392
N-[2-(5-methyl-3,4-dihydropyridin-2-yl)-5-[1-[4-(trifluoromethyl)cyclohexyl]piperidin-4-yl]pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 144446178
2-[5-Methyl-6-(4-morpholin-4-ylcyclohexyl)-3-pyridinyl]-1-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]ethanone
CID 147152819
1-[1-(1-ethoxyethyl)-3-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridin-5-yl]-2-[(3S,4R)-1-methyl-4-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanone
CID 152945905
N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155582634

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone?
The IUPAC name of 2-[5-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone (CID 161375871) is 2-[5-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone.
What is the SMILES notation for 2-[5-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone?
The canonical SMILES for 2-[5-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone is CC(C)C1CCC(n2ncc(CC(=O)c3cnn4ccc(N5CCOCC5)nc34)c2C(F)F)CC1.
What is the InChIKey of 2-[5-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone?
The InChIKey is VRBLPRWXVCGYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2N6O2/c1-16(2)17-3-5-19(6-4-17)33-23(24(26)27)18(14-29-33)13-21(34)20-15-28-32-8-7-22(30-25(20)32)31-9-11-35-12-10-31/h7-8,14-17,19,24H,3-6,9-13H2,1-2H3.
What are the key properties of 2-[5-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone?
2-[5-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone has a molecular weight of 486.57 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-1-(5-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone is sourced from PubChem (CID 161375871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).