N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(1H-indol-3-yl)acetamide

C25H20FN5O — CID 18674145

IUPACN-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(1H-indol-3-yl)acetamide
SMILESCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C25H20FN5O/c1-31-25(29-22(32)14-18-15-28-21-5-3-2-4-20(18)21)23(16-10-12-27-13-11-16)24(30-31)17-6-8-19(26)9-7-17/h2-13,15,28H,14H2,1H3,(H,29,32)
InChIKeyCLOHFNXTUPUNSH-UHFFFAOYSA-N
MW425.47 g/mol
LogP4.95
Rot. Bonds5

About N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(1H-indol-3-yl)acetamide

N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(1H-indol-3-yl)acetamide (PubChem CID 18674145) has the molecular formula C25H20FN5O and a molecular weight of 425.47 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(1H-indol-3-yl)acetamide
PubChem CID18674145
Molecular FormulaC25H20FN5O
Molecular Weight425.47 g/mol
Exact Mass425.17
IUPAC NameN-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(1H-indol-3-yl)acetamide
SMILESCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C25H20FN5O/c1-31-25(29-22(32)14-18-15-28-21-5-3-2-4-20(18)21)23(16-10-12-27-13-11-16)24(30-31)17-6-8-19(26)9-7-17/h2-13,15,28H,14H2,1H3,(H,29,32)
InChIKeyCLOHFNXTUPUNSH-UHFFFAOYSA-N
XLogP4.95
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-pyridin-4-ylacetamide
CID 18674111
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methoxyphenyl)acetamide
CID 18674002
2-amino-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674150
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18673983
2-(4-amino-2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674096
2-(2-chloro-6-fluorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 57467727
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(3-nitrophenyl)acetamide
CID 18674147
2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18674061
N-[3-(1,3-benzodioxol-5-yl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-phenylacetamide
CID 18674028
2-(1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 17427007
2-(1H-indol-3-yl)-N-(3-methyl-4-pyridinyl)acetamide
CID 63671729
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(1H-indol-3-yl)propanamide
CID 46820436

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(1H-indol-3-yl)acetamide (CID 18674145) is N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(1H-indol-3-yl)acetamide is Cn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1NC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is CLOHFNXTUPUNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O/c1-31-25(29-22(32)14-18-15-28-21-5-3-2-4-20(18)21)23(16-10-12-27-13-11-16)24(30-31)17-6-8-19(26)9-7-17/h2-13,15,28H,14H2,1H3,(H,29,32).
What are the key properties of N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(1H-indol-3-yl)acetamide?
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 425.47 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 18674145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).