N-(2-fluorophenyl)-5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide

C25H24FN5O2 — CID 91628898

IUPACN-(2-fluorophenyl)-5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1cc(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)[nH]n1
InChIInChI=1S/C25H24FN5O2/c26-19-6-2-4-8-21(19)28-25(33)23-14-22(29-30-23)16-9-11-31(12-10-16)24(32)13-17-15-27-20-7-3-1-5-18(17)20/h1-8,14-16,27H,9-13H2,(H,28,33)(H,29,30)
InChIKeyHMOPOLXKTICZDV-UHFFFAOYSA-N
MW445.50 g/mol
LogP4.23
Rot. Bonds5

About N-(2-fluorophenyl)-5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide

N-(2-fluorophenyl)-5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide (PubChem CID 91628898) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide
PubChem CID91628898
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC NameN-(2-fluorophenyl)-5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1cc(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)[nH]n1
InChIInChI=1S/C25H24FN5O2/c26-19-6-2-4-8-21(19)28-25(33)23-14-22(29-30-23)16-9-11-31(12-10-16)24(32)13-17-15-27-20-7-3-1-5-18(17)20/h1-8,14-16,27H,9-13H2,(H,28,33)(H,29,30)
InChIKeyHMOPOLXKTICZDV-UHFFFAOYSA-N
XLogP4.23
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 91628904
N-(2-fluorophenyl)-5-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide
CID 91628916
5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide
CID 91628921
1-[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113088197
2-(1H-indol-3-yl)-1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113088041
1-[4-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 110085536
1-[7-(2-fluorophenyl)-1,4-thiazepan-4-yl]-2-(1H-indol-3-yl)ethanone
CID 90630039
1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 28706781
1-[7-(2-fluorophenyl)-1,1-dioxo-1,4-thiazepan-4-yl]-2-(1H-indol-3-yl)ethanone
CID 121192259
N-(1H-indazol-6-yl)-2-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 23990974
N-[(2-fluorophenyl)methyl]-4-[2-(1H-indol-3-yl)acetyl]piperazine-1-carboxamide
CID 47065618
N-[(2-fluorophenyl)methyl]-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide
CID 60502687

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide (CID 91628898) is N-(2-fluorophenyl)-5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide is O=C(Nc1ccccc1F)c1cc(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)[nH]n1.
What is the InChIKey of N-(2-fluorophenyl)-5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is HMOPOLXKTICZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c26-19-6-2-4-8-21(19)28-25(33)23-14-22(29-30-23)16-9-11-31(12-10-16)24(32)13-17-15-27-20-7-3-1-5-18(17)20/h1-8,14-16,27H,9-13H2,(H,28,33)(H,29,30).
What are the key properties of N-(2-fluorophenyl)-5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide?
N-(2-fluorophenyl)-5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 445.50 g/mol, XLogP of 4.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91628898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).