2-acetamido-3-(1H-indol-3-yl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide

C23H20F3N5O2 — CID 60575970

IUPAC2-acetamido-3-(1H-indol-3-yl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1
InChIInChI=1S/C23H20F3N5O2/c1-14(32)29-20(12-15-13-27-19-5-3-2-4-18(15)19)22(33)30-16-6-8-17(9-7-16)31-21(10-11-28-31)23(24,25)26/h2-11,13,20,27H,12H2,1H3,(H,29,32)(H,30,33)
InChIKeyYHDGPNMTQZSXIR-UHFFFAOYSA-N
MW455.44 g/mol
LogP4.06
Rot. Bonds6

About 2-acetamido-3-(1H-indol-3-yl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide

2-acetamido-3-(1H-indol-3-yl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide (PubChem CID 60575970) has the molecular formula C23H20F3N5O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is 2-acetamido-3-(1H-indol-3-yl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide.

Molecular Properties

Compound Name2-acetamido-3-(1H-indol-3-yl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide
PubChem CID60575970
Molecular FormulaC23H20F3N5O2
Molecular Weight455.44 g/mol
Exact Mass455.16
IUPAC Name2-acetamido-3-(1H-indol-3-yl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide
SMILESCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1
InChIInChI=1S/C23H20F3N5O2/c1-14(32)29-20(12-15-13-27-19-5-3-2-4-18(15)19)22(33)30-16-6-8-17(9-7-16)31-21(10-11-28-31)23(24,25)26/h2-11,13,20,27H,12H2,1H3,(H,29,32)(H,30,33)
InChIKeyYHDGPNMTQZSXIR-UHFFFAOYSA-N
XLogP4.06
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
2-acetamido-N-[4-(diethylamino)phenyl]-3-(1H-indol-3-yl)propanamide
CID 19818816
2-acetamido-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide
CID 43926506
2-acetamido-N-(4-ethoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 51161582
2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide
CID 51163813
2-acetamido-N-(4-acetamido-3-methylphenyl)-3-(1H-indol-3-yl)propanamide
CID 46421755
2-acetamido-3-(1H-indol-3-yl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 55734095
2-acetamido-3-(1H-indol-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 55885074
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-(3-iodophenyl)propanamide
CID 55937867
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 39978358
(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-6-imino-5-oxo-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide
CID 167000236

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(1H-indol-3-yl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide?
The IUPAC name of 2-acetamido-3-(1H-indol-3-yl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide (CID 60575970) is 2-acetamido-3-(1H-indol-3-yl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide.
What is the SMILES notation for 2-acetamido-3-(1H-indol-3-yl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide?
The canonical SMILES for 2-acetamido-3-(1H-indol-3-yl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide is CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1.
What is the InChIKey of 2-acetamido-3-(1H-indol-3-yl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide?
The InChIKey is YHDGPNMTQZSXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O2/c1-14(32)29-20(12-15-13-27-19-5-3-2-4-18(15)19)22(33)30-16-6-8-17(9-7-16)31-21(10-11-28-31)23(24,25)26/h2-11,13,20,27H,12H2,1H3,(H,29,32)(H,30,33).
What are the key properties of 2-acetamido-3-(1H-indol-3-yl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide?
2-acetamido-3-(1H-indol-3-yl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide has a molecular weight of 455.44 g/mol, XLogP of 4.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(1H-indol-3-yl)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide is sourced from PubChem (CID 60575970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).