[2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C28H30FN5O2 — CID 46079513

IUPAC[2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3F)n3nc(C(C)(C)C)cc3n2)CC1
InChIInChI=1S/C28H30FN5O2/c1-28(2,3)25-18-26-30-21(17-23(34(26)31-25)19-9-5-6-10-20(19)29)27(35)33-15-13-32(14-16-33)22-11-7-8-12-24(22)36-4/h5-12,17-18H,13-16H2,1-4H3
InChIKeyYRPOUICYQGQDDD-UHFFFAOYSA-N
MW487.58 g/mol
LogP4.80
Rot. Bonds4

About [2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

[2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 46079513) has the molecular formula C28H30FN5O2 and a molecular weight of 487.58 g/mol. Its IUPAC name is [2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID46079513
Molecular FormulaC28H30FN5O2
Molecular Weight487.58 g/mol
Exact Mass487.24
IUPAC Name[2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3F)n3nc(C(C)(C)C)cc3n2)CC1
InChIInChI=1S/C28H30FN5O2/c1-28(2,3)25-18-26-30-21(17-23(34(26)31-25)19-9-5-6-10-20(19)29)27(35)33-15-13-32(14-16-33)22-11-7-8-12-24(22)36-4/h5-12,17-18H,13-16H2,1-4H3
InChIKeyYRPOUICYQGQDDD-UHFFFAOYSA-N
XLogP4.80
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 42877208
(6,8-difluoro-4-methoxyquinolin-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 71824746
[2-tert-butyl-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 46079805
(5-tert-butyl-1H-pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 110854273
[4-(2-methoxyphenyl)piperazin-1-yl]-[11-(trifluoromethyl)-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaen-14-yl]methanone
CID 3124862
[7-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 42877309
[2-tert-butyl-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 46170321
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 30402904
[2-tert-butyl-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 46079997
[4-(2-fluorophenyl)piperazin-1-yl]-(7-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
CID 46079607
[1-(3,4-dichlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4679362
(2-cyclopropyl-6-methylpyrimidin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 146080208

Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 46079513) is [2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2cc(-c3ccccc3F)n3nc(C(C)(C)C)cc3n2)CC1.
What is the InChIKey of [2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is YRPOUICYQGQDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O2/c1-28(2,3)25-18-26-30-21(17-23(34(26)31-25)19-9-5-6-10-20(19)29)27(35)33-15-13-32(14-16-33)22-11-7-8-12-24(22)36-4/h5-12,17-18H,13-16H2,1-4H3.
What are the key properties of [2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
[2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 487.58 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-7-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 46079513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).