N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1H-indol-6-yl)acetamide

C20H16F2N4O — CID 118560488

IUPACN-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1H-indol-6-yl)acetamide
SMILESO=C(Cc1ccc2cc[nH]c2c1)Nc1ccn(Cc2ccc(F)c(F)c2)n1
InChIInChI=1S/C20H16F2N4O/c21-16-4-2-14(9-17(16)22)12-26-8-6-19(25-26)24-20(27)11-13-1-3-15-5-7-23-18(15)10-13/h1-10,23H,11-12H2,(H,24,25,27)
InChIKeyINSJIVSXEZBVFI-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.87
Rot. Bonds5

About N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1H-indol-6-yl)acetamide

N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1H-indol-6-yl)acetamide (PubChem CID 118560488) has the molecular formula C20H16F2N4O and a molecular weight of 366.37 g/mol. Its IUPAC name is N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1H-indol-6-yl)acetamide.

Molecular Properties

Compound NameN-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1H-indol-6-yl)acetamide
PubChem CID118560488
Molecular FormulaC20H16F2N4O
Molecular Weight366.37 g/mol
Exact Mass366.13
IUPAC NameN-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1H-indol-6-yl)acetamide
SMILESO=C(Cc1ccc2cc[nH]c2c1)Nc1ccn(Cc2ccc(F)c(F)c2)n1
InChIInChI=1S/C20H16F2N4O/c21-16-4-2-14(9-17(16)22)12-26-8-6-19(25-26)24-20(27)11-13-1-3-15-5-7-23-18(15)10-13/h1-10,23H,11-12H2,(H,24,25,27)
InChIKeyINSJIVSXEZBVFI-UHFFFAOYSA-N
XLogP3.87
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1H-indol-6-yl)acetamide?
The IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1H-indol-6-yl)acetamide (CID 118560488) is N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1H-indol-6-yl)acetamide.
What is the SMILES notation for N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1H-indol-6-yl)acetamide?
The canonical SMILES for N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1H-indol-6-yl)acetamide is O=C(Cc1ccc2cc[nH]c2c1)Nc1ccn(Cc2ccc(F)c(F)c2)n1.
What is the InChIKey of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1H-indol-6-yl)acetamide?
The InChIKey is INSJIVSXEZBVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O/c21-16-4-2-14(9-17(16)22)12-26-8-6-19(25-26)24-20(27)11-13-1-3-15-5-7-23-18(15)10-13/h1-10,23H,11-12H2,(H,24,25,27).
What are the key properties of N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1H-indol-6-yl)acetamide?
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1H-indol-6-yl)acetamide has a molecular weight of 366.37 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1H-indol-6-yl)acetamide is sourced from PubChem (CID 118560488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).