[1-(4-fluorophenyl)cyclopropyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone

C24H23FN4O — CID 56537107

IUPAC[1-(4-fluorophenyl)cyclopropyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(c2ccnc(-c3ccccc3)n2)CC1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H23FN4O/c25-20-8-6-19(7-9-20)24(11-12-24)23(30)29-16-14-28(15-17-29)21-10-13-26-22(27-21)18-4-2-1-3-5-18/h1-10,13H,11-12,14-17H2
InChIKeyDNUYIAQBVJIDIZ-UHFFFAOYSA-N
MW402.47 g/mol
LogP3.66
Rot. Bonds4

About [1-(4-fluorophenyl)cyclopropyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone

[1-(4-fluorophenyl)cyclopropyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 56537107) has the molecular formula C24H23FN4O and a molecular weight of 402.47 g/mol. Its IUPAC name is [1-(4-fluorophenyl)cyclopropyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)cyclopropyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID56537107
Molecular FormulaC24H23FN4O
Molecular Weight402.47 g/mol
Exact Mass402.19
IUPAC Name[1-(4-fluorophenyl)cyclopropyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(c2ccnc(-c3ccccc3)n2)CC1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H23FN4O/c25-20-8-6-19(7-9-20)24(11-12-24)23(30)29-16-14-28(15-17-29)21-10-13-26-22(27-21)18-4-2-1-3-5-18/h1-10,13H,11-12,14-17H2
InChIKeyDNUYIAQBVJIDIZ-UHFFFAOYSA-N
XLogP3.66
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 56537107) is [1-(4-fluorophenyl)cyclopropyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(4-fluorophenyl)cyclopropyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(4-fluorophenyl)cyclopropyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone is O=C(N1CCN(c2ccnc(-c3ccccc3)n2)CC1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)cyclopropyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is DNUYIAQBVJIDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O/c25-20-8-6-19(7-9-20)24(11-12-24)23(30)29-16-14-28(15-17-29)21-10-13-26-22(27-21)18-4-2-1-3-5-18/h1-10,13H,11-12,14-17H2.
What are the key properties of [1-(4-fluorophenyl)cyclopropyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone?
[1-(4-fluorophenyl)cyclopropyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 402.47 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)cyclopropyl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 56537107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).