1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine

C27H29FN6 — CID 56597466

IUPAC1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine
SMILESCN1CCN(CCCn2cc(-c3cncc(-c4ccnc(-c5ccccc5F)c4)c3)cn2)CC1
InChIInChI=1S/C27H29FN6/c1-32-11-13-33(14-12-32)9-4-10-34-20-24(19-31-34)23-15-22(17-29-18-23)21-7-8-30-27(16-21)25-5-2-3-6-26(25)28/h2-3,5-8,15-20H,4,9-14H2,1H3
InChIKeySDSLQLHZOUDGJY-UHFFFAOYSA-N
MW456.57 g/mol
LogP4.45
Rot. Bonds7

About 1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine

1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine (PubChem CID 56597466) has the molecular formula C27H29FN6 and a molecular weight of 456.57 g/mol. Its IUPAC name is 1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine
PubChem CID56597466
Molecular FormulaC27H29FN6
Molecular Weight456.57 g/mol
Exact Mass456.24
IUPAC Name1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine
SMILESCN1CCN(CCCn2cc(-c3cncc(-c4ccnc(-c5ccccc5F)c4)c3)cn2)CC1
InChIInChI=1S/C27H29FN6/c1-32-11-13-33(14-12-32)9-4-10-34-20-24(19-31-34)23-15-22(17-29-18-23)21-7-8-30-27(16-21)25-5-2-3-6-26(25)28/h2-3,5-8,15-20H,4,9-14H2,1H3
InChIKeySDSLQLHZOUDGJY-UHFFFAOYSA-N
XLogP4.45
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine (CID 56597466) is 1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine is CN1CCN(CCCn2cc(-c3cncc(-c4ccnc(-c5ccccc5F)c4)c3)cn2)CC1.
What is the InChIKey of 1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine?
The InChIKey is SDSLQLHZOUDGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN6/c1-32-11-13-33(14-12-32)9-4-10-34-20-24(19-31-34)23-15-22(17-29-18-23)21-7-8-30-27(16-21)25-5-2-3-6-26(25)28/h2-3,5-8,15-20H,4,9-14H2,1H3.
What are the key properties of 1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine?
1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine has a molecular weight of 456.57 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[5-[2-(2-fluorophenyl)-4-pyridinyl]-3-pyridinyl]pyrazol-1-yl]propyl]-4-methylpiperazine is sourced from PubChem (CID 56597466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).