1-(4-fluorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-piperidin-4-ylpyrazole-4-carboxamide

C26H28FN5O2 — CID 20918569

IUPAC1-(4-fluorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)c3cnn(-c4ccc(F)cc4)c3C3CCNCC3)c2c1
InChIInChI=1S/C26H28FN5O2/c1-34-21-6-7-24-22(14-21)18(15-30-24)10-13-29-26(33)23-16-31-32(20-4-2-19(27)3-5-20)25(23)17-8-11-28-12-9-17/h2-7,14-17,28,30H,8-13H2,1H3,(H,29,33)
InChIKeyVJTHJYVAANBSSM-UHFFFAOYSA-N
MW461.54 g/mol
LogP3.94
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-piperidin-4-ylpyrazole-4-carboxamide

1-(4-fluorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-piperidin-4-ylpyrazole-4-carboxamide (PubChem CID 20918569) has the molecular formula C26H28FN5O2 and a molecular weight of 461.54 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-piperidin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-piperidin-4-ylpyrazole-4-carboxamide
PubChem CID20918569
Molecular FormulaC26H28FN5O2
Molecular Weight461.54 g/mol
Exact Mass461.22
IUPAC Name1-(4-fluorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)c3cnn(-c4ccc(F)cc4)c3C3CCNCC3)c2c1
InChIInChI=1S/C26H28FN5O2/c1-34-21-6-7-24-22(14-21)18(15-30-24)10-13-29-26(33)23-16-31-32(20-4-2-19(27)3-5-20)25(23)17-8-11-28-12-9-17/h2-7,14-17,28,30H,8-13H2,1H3,(H,29,33)
InChIKeyVJTHJYVAANBSSM-UHFFFAOYSA-N
XLogP3.94
TPSA83.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-piperidin-4-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-piperidin-4-ylpyrazole-4-carboxamide (CID 20918569) is 1-(4-fluorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-piperidin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-piperidin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-piperidin-4-ylpyrazole-4-carboxamide is COc1ccc2[nH]cc(CCNC(=O)c3cnn(-c4ccc(F)cc4)c3C3CCNCC3)c2c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-piperidin-4-ylpyrazole-4-carboxamide?
The InChIKey is VJTHJYVAANBSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O2/c1-34-21-6-7-24-22(14-21)18(15-30-24)10-13-29-26(33)23-16-31-32(20-4-2-19(27)3-5-20)25(23)17-8-11-28-12-9-17/h2-7,14-17,28,30H,8-13H2,1H3,(H,29,33).
What are the key properties of 1-(4-fluorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-piperidin-4-ylpyrazole-4-carboxamide?
1-(4-fluorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-piperidin-4-ylpyrazole-4-carboxamide has a molecular weight of 461.54 g/mol, XLogP of 3.94, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-piperidin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20918569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).