N-[5-(5-chloro-6-fluoro-3H-indol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide

C18H10ClF3N4O — CID 58432272

IUPACN-[5-(5-chloro-6-fluoro-3H-indol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide
SMILESO=C(Nc1cn[nH]c1C1=Nc2cc(F)c(Cl)cc2C1)c1c(F)cccc1F
InChIInChI=1S/C18H10ClF3N4O/c19-9-4-8-5-14(24-13(8)6-12(9)22)17-15(7-23-26-17)25-18(27)16-10(20)2-1-3-11(16)21/h1-4,6-7H,5H2,(H,23,26)(H,25,27)
InChIKeyFWAKABFOCVRPNM-UHFFFAOYSA-N
MW390.75 g/mol
LogP4.41
Rot. Bonds3

About N-[5-(5-chloro-6-fluoro-3H-indol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide

N-[5-(5-chloro-6-fluoro-3H-indol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide (PubChem CID 58432272) has the molecular formula C18H10ClF3N4O and a molecular weight of 390.75 g/mol. Its IUPAC name is N-[5-(5-chloro-6-fluoro-3H-indol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-(5-chloro-6-fluoro-3H-indol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide
PubChem CID58432272
Molecular FormulaC18H10ClF3N4O
Molecular Weight390.75 g/mol
Exact Mass390.05
IUPAC NameN-[5-(5-chloro-6-fluoro-3H-indol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide
SMILESO=C(Nc1cn[nH]c1C1=Nc2cc(F)c(Cl)cc2C1)c1c(F)cccc1F
InChIInChI=1S/C18H10ClF3N4O/c19-9-4-8-5-14(24-13(8)6-12(9)22)17-15(7-23-26-17)25-18(27)16-10(20)2-1-3-11(16)21/h1-4,6-7H,5H2,(H,23,26)(H,25,27)
InChIKeyFWAKABFOCVRPNM-UHFFFAOYSA-N
XLogP4.41
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.75
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chloro-6-fluoro-3H-indol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-(5-chloro-6-fluoro-3H-indol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide (CID 58432272) is N-[5-(5-chloro-6-fluoro-3H-indol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-(5-chloro-6-fluoro-3H-indol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-(5-chloro-6-fluoro-3H-indol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide is O=C(Nc1cn[nH]c1C1=Nc2cc(F)c(Cl)cc2C1)c1c(F)cccc1F.
What is the InChIKey of N-[5-(5-chloro-6-fluoro-3H-indol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide?
The InChIKey is FWAKABFOCVRPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF3N4O/c19-9-4-8-5-14(24-13(8)6-12(9)22)17-15(7-23-26-17)25-18(27)16-10(20)2-1-3-11(16)21/h1-4,6-7H,5H2,(H,23,26)(H,25,27).
What are the key properties of N-[5-(5-chloro-6-fluoro-3H-indol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide?
N-[5-(5-chloro-6-fluoro-3H-indol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide has a molecular weight of 390.75 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chloro-6-fluoro-3H-indol-2-yl)-1H-pyrazol-4-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 58432272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).