[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)methanone

C27H28FN5O — CID 4984521

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCc1nn2c(C(C)C)c(C(=O)N3CCN(c4ccccc4F)CC3)cnc2c1-c1ccccc1
InChIInChI=1S/C27H28FN5O/c1-18(2)25-21(17-29-26-24(19(3)30-33(25)26)20-9-5-4-6-10-20)27(34)32-15-13-31(14-16-32)23-12-8-7-11-22(23)28/h4-12,17-18H,13-16H2,1-3H3
InChIKeyGCYREINUOPJXOK-UHFFFAOYSA-N
MW457.55 g/mol
LogP4.93
Rot. Bonds4

About [4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)methanone

[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)methanone (PubChem CID 4984521) has the molecular formula C27H28FN5O and a molecular weight of 457.55 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
PubChem CID4984521
Molecular FormulaC27H28FN5O
Molecular Weight457.55 g/mol
Exact Mass457.23
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCc1nn2c(C(C)C)c(C(=O)N3CCN(c4ccccc4F)CC3)cnc2c1-c1ccccc1
InChIInChI=1S/C27H28FN5O/c1-18(2)25-21(17-29-26-24(19(3)30-33(25)26)20-9-5-4-6-10-20)27(34)32-15-13-31(14-16-32)23-12-8-7-11-22(23)28/h4-12,17-18H,13-16H2,1-3H3
InChIKeyGCYREINUOPJXOK-UHFFFAOYSA-N
XLogP4.93
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-phenyl-N-[(1R)-1-phenylethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 7493376
[4-(2-fluorophenyl)piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 46074581
(2-benzyl-4-methylpyrimidin-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 100753699
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
(2-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3648748
2,7-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 6946048
[4-(2-fluorophenyl)piperazin-1-yl]-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
CID 46079607
[3-(4-fluorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-(4-methylpiperidin-1-yl)methanone
CID 50790806
(2,6-dimethylmorpholin-4-yl)-(7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 3603837
[4-(2-fluorophenyl)piperazin-1-yl]-[2-(N-methylanilino)pyrimidin-5-yl]methanone
CID 109262099
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 156586016
ethyl 1-(7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylate
CID 4988814

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)methanone (CID 4984521) is [4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)methanone is Cc1nn2c(C(C)C)c(C(=O)N3CCN(c4ccccc4F)CC3)cnc2c1-c1ccccc1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The InChIKey is GCYREINUOPJXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O/c1-18(2)25-21(17-29-26-24(19(3)30-33(25)26)20-9-5-4-6-10-20)27(34)32-15-13-31(14-16-32)23-12-8-7-11-22(23)28/h4-12,17-18H,13-16H2,1-3H3.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)methanone has a molecular weight of 457.55 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-3-phenyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)methanone is sourced from PubChem (CID 4984521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).