2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone

C27H25F2N5O2 — CID 71572299

IUPAC2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
SMILESCOc1ccnc(N2CCN(C(=O)Cn3nc(-c4ccc(F)cc4)cc3-c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C27H25F2N5O2/c1-36-23-10-11-30-26(16-23)32-12-14-33(15-13-32)27(35)18-34-25(20-4-8-22(29)9-5-20)17-24(31-34)19-2-6-21(28)7-3-19/h2-11,16-17H,12-15,18H2,1H3
InChIKeyDKBOVHYKHWIPNX-UHFFFAOYSA-N
MW489.53 g/mol
LogP4.25
Rot. Bonds6

About 2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone

2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone (PubChem CID 71572299) has the molecular formula C27H25F2N5O2 and a molecular weight of 489.53 g/mol. Its IUPAC name is 2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
PubChem CID71572299
Molecular FormulaC27H25F2N5O2
Molecular Weight489.53 g/mol
Exact Mass489.20
IUPAC Name2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
SMILESCOc1ccnc(N2CCN(C(=O)Cn3nc(-c4ccc(F)cc4)cc3-c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C27H25F2N5O2/c1-36-23-10-11-30-26(16-23)32-12-14-33(15-13-32)27(35)18-34-25(20-4-8-22(29)9-5-20)17-24(31-34)19-2-6-21(28)7-3-19/h2-11,16-17H,12-15,18H2,1H3
InChIKeyDKBOVHYKHWIPNX-UHFFFAOYSA-N
XLogP4.25
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone (CID 71572299) is 2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone is COc1ccnc(N2CCN(C(=O)Cn3nc(-c4ccc(F)cc4)cc3-c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone?
The InChIKey is DKBOVHYKHWIPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N5O2/c1-36-23-10-11-30-26(16-23)32-12-14-33(15-13-32)27(35)18-34-25(20-4-8-22(29)9-5-20)17-24(31-34)19-2-6-21(28)7-3-19/h2-11,16-17H,12-15,18H2,1H3.
What are the key properties of 2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone?
2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone has a molecular weight of 489.53 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(4-fluorophenyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 71572299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).