N-[1-[2-[(5-fluoro-1H-indol-2-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide

C23H22FN5O3 — CID 26329650

IUPACN-[1-[2-[(5-fluoro-1H-indol-2-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1cnn(CC(=O)NCc2cc3cc(F)ccc3[nH]2)c1
InChIInChI=1S/C23H22FN5O3/c1-32-21-5-3-2-4-15(21)10-22(30)28-19-12-26-29(13-19)14-23(31)25-11-18-9-16-8-17(24)6-7-20(16)27-18/h2-9,12-13,27H,10-11,14H2,1H3,(H,25,31)(H,28,30)
InChIKeyPCIUWRWSAKWDAY-UHFFFAOYSA-N
MW435.46 g/mol
LogP3.01
Rot. Bonds8

About N-[1-[2-[(5-fluoro-1H-indol-2-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide

N-[1-[2-[(5-fluoro-1H-indol-2-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide (PubChem CID 26329650) has the molecular formula C23H22FN5O3 and a molecular weight of 435.46 g/mol. Its IUPAC name is N-[1-[2-[(5-fluoro-1H-indol-2-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-[2-[(5-fluoro-1H-indol-2-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide
PubChem CID26329650
Molecular FormulaC23H22FN5O3
Molecular Weight435.46 g/mol
Exact Mass435.17
IUPAC NameN-[1-[2-[(5-fluoro-1H-indol-2-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1cnn(CC(=O)NCc2cc3cc(F)ccc3[nH]2)c1
InChIInChI=1S/C23H22FN5O3/c1-32-21-5-3-2-4-15(21)10-22(30)28-19-12-26-29(13-19)14-23(31)25-11-18-9-16-8-17(24)6-7-20(16)27-18/h2-9,12-13,27H,10-11,14H2,1H3,(H,25,31)(H,28,30)
InChIKeyPCIUWRWSAKWDAY-UHFFFAOYSA-N
XLogP3.01
TPSA101.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(5-fluoro-1H-indol-2-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[1-[2-[(5-fluoro-1H-indol-2-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide (CID 26329650) is N-[1-[2-[(5-fluoro-1H-indol-2-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[1-[2-[(5-fluoro-1H-indol-2-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[1-[2-[(5-fluoro-1H-indol-2-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)Nc1cnn(CC(=O)NCc2cc3cc(F)ccc3[nH]2)c1.
What is the InChIKey of N-[1-[2-[(5-fluoro-1H-indol-2-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide?
The InChIKey is PCIUWRWSAKWDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O3/c1-32-21-5-3-2-4-15(21)10-22(30)28-19-12-26-29(13-19)14-23(31)25-11-18-9-16-8-17(24)6-7-20(16)27-18/h2-9,12-13,27H,10-11,14H2,1H3,(H,25,31)(H,28,30).
What are the key properties of N-[1-[2-[(5-fluoro-1H-indol-2-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide?
N-[1-[2-[(5-fluoro-1H-indol-2-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide has a molecular weight of 435.46 g/mol, XLogP of 3.01, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(5-fluoro-1H-indol-2-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 26329650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).