N-[5-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-1H-indol-3-yl]cyclobutanecarboxamide

C23H20F3N5O — CID 166951845

IUPACN-[5-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-1H-indol-3-yl]cyclobutanecarboxamide
SMILESO=C(Nc1c[nH]c2ccc(-c3cnn(Cc4ccc(C(F)(F)F)cn4)c3)cc12)C1CCC1
InChIInChI=1S/C23H20F3N5O/c24-23(25,26)17-5-6-18(27-10-17)13-31-12-16(9-29-31)15-4-7-20-19(8-15)21(11-28-20)30-22(32)14-2-1-3-14/h4-12,14,28H,1-3,13H2,(H,30,32)
InChIKeyKJRWMGIRRAPUCT-UHFFFAOYSA-N
MW439.44 g/mol
LogP5.23
Rot. Bonds5

About N-[5-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-1H-indol-3-yl]cyclobutanecarboxamide

N-[5-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-1H-indol-3-yl]cyclobutanecarboxamide (PubChem CID 166951845) has the molecular formula C23H20F3N5O and a molecular weight of 439.44 g/mol. Its IUPAC name is N-[5-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-1H-indol-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-1H-indol-3-yl]cyclobutanecarboxamide
PubChem CID166951845
Molecular FormulaC23H20F3N5O
Molecular Weight439.44 g/mol
Exact Mass439.16
IUPAC NameN-[5-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-1H-indol-3-yl]cyclobutanecarboxamide
SMILESO=C(Nc1c[nH]c2ccc(-c3cnn(Cc4ccc(C(F)(F)F)cn4)c3)cc12)C1CCC1
InChIInChI=1S/C23H20F3N5O/c24-23(25,26)17-5-6-18(27-10-17)13-31-12-16(9-29-31)15-4-7-20-19(8-15)21(11-28-20)30-22(32)14-2-1-3-14/h4-12,14,28H,1-3,13H2,(H,30,32)
InChIKeyKJRWMGIRRAPUCT-UHFFFAOYSA-N
XLogP5.23
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.44
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-oxo-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]piperidine-4-carboxamide
CID 166951464
1-methyl-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]azetidine-2-carboxamide
CID 166951799
N-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-indol-3-yl]cyclobutanecarboxamide
CID 167467692
4,4-difluoro-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]pyrrolidine-2-carboxamide
CID 170336737
3,3,3-trifluoro-2-(hydroxymethyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]propanamide
CID 166951453
N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-pyrrolo[3,2-b]pyridin-3-yl]cyclobutanecarboxamide
CID 166951748
N-methyl-N'-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]oxamide
CID 164573407
N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]-2H-triazole-4-carboxamide
CID 166951469
2-(1-aminocyclohexyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide
CID 162705288
N-(5-cyclobutyloxy-1H-indol-3-yl)cyclopropanecarboxamide;trifluoromethylbenzene
CID 167467905
N-(3-methoxycyclobutyl)-N'-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]oxamide
CID 164573382
N-[5-[1-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide
CID 170336720

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-1H-indol-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[5-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-1H-indol-3-yl]cyclobutanecarboxamide (CID 166951845) is N-[5-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-1H-indol-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-1H-indol-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-1H-indol-3-yl]cyclobutanecarboxamide is O=C(Nc1c[nH]c2ccc(-c3cnn(Cc4ccc(C(F)(F)F)cn4)c3)cc12)C1CCC1.
What is the InChIKey of N-[5-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-1H-indol-3-yl]cyclobutanecarboxamide?
The InChIKey is KJRWMGIRRAPUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O/c24-23(25,26)17-5-6-18(27-10-17)13-31-12-16(9-29-31)15-4-7-20-19(8-15)21(11-28-20)30-22(32)14-2-1-3-14/h4-12,14,28H,1-3,13H2,(H,30,32).
What are the key properties of N-[5-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-1H-indol-3-yl]cyclobutanecarboxamide?
N-[5-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-1H-indol-3-yl]cyclobutanecarboxamide has a molecular weight of 439.44 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-1H-indol-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 166951845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).