1-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]pyrrolidin-2-one

C26H28FN5O2 — CID 67092195

IUPAC1-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]pyrrolidin-2-one
SMILESO=C(Cn1nc(-c2ccncc2)cc1Cc1ccc(F)cc1)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C26H28FN5O2/c27-21-5-3-19(4-6-21)16-23-17-24(20-7-11-28-12-8-20)29-32(23)18-26(34)30-14-9-22(10-15-30)31-13-1-2-25(31)33/h3-8,11-12,17,22H,1-2,9-10,13-16,18H2
InChIKeyQDRXOFCQKSWWPW-UHFFFAOYSA-N
MW461.54 g/mol
LogP3.29
Rot. Bonds6

About 1-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]pyrrolidin-2-one

1-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 67092195) has the molecular formula C26H28FN5O2 and a molecular weight of 461.54 g/mol. Its IUPAC name is 1-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID67092195
Molecular FormulaC26H28FN5O2
Molecular Weight461.54 g/mol
Exact Mass461.22
IUPAC Name1-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]pyrrolidin-2-one
SMILESO=C(Cn1nc(-c2ccncc2)cc1Cc1ccc(F)cc1)N1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C26H28FN5O2/c27-21-5-3-19(4-6-21)16-23-17-24(20-7-11-28-12-8-20)29-32(23)18-26(34)30-14-9-22(10-15-30)31-13-1-2-25(31)33/h3-8,11-12,17,22H,1-2,9-10,13-16,18H2
InChIKeyQDRXOFCQKSWWPW-UHFFFAOYSA-N
XLogP3.29
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]pyrrolidin-2-one (CID 67092195) is 1-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]pyrrolidin-2-one is O=C(Cn1nc(-c2ccncc2)cc1Cc1ccc(F)cc1)N1CCC(N2CCCC2=O)CC1.
What is the InChIKey of 1-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is QDRXOFCQKSWWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O2/c27-21-5-3-19(4-6-21)16-23-17-24(20-7-11-28-12-8-20)29-32(23)18-26(34)30-14-9-22(10-15-30)31-13-1-2-25(31)33/h3-8,11-12,17,22H,1-2,9-10,13-16,18H2.
What are the key properties of 1-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]pyrrolidin-2-one?
1-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 461.54 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetyl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 67092195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).