4,4-difluoro-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]pyrrolidine-2-carboxamide

C23H18F5N5O — CID 170336737

IUPAC4,4-difluoro-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1c[nH]c2ccc(-c3cnn(-c4ccc(C(F)(F)F)cc4)c3)cc12)C1CC(F)(F)CN1
InChIInChI=1S/C23H18F5N5O/c24-22(25)8-19(30-12-22)21(34)32-20-10-29-18-6-1-13(7-17(18)20)14-9-31-33(11-14)16-4-2-15(3-5-16)23(26,27)28/h1-7,9-11,19,29-30H,8,12H2,(H,32,34)
InChIKeyMIZKPEKUOYEILR-UHFFFAOYSA-N
MW475.42 g/mol
LogP4.98
Rot. Bonds4

About 4,4-difluoro-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]pyrrolidine-2-carboxamide

4,4-difluoro-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]pyrrolidine-2-carboxamide (PubChem CID 170336737) has the molecular formula C23H18F5N5O and a molecular weight of 475.42 g/mol. Its IUPAC name is 4,4-difluoro-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]pyrrolidine-2-carboxamide
PubChem CID170336737
Molecular FormulaC23H18F5N5O
Molecular Weight475.42 g/mol
Exact Mass475.14
IUPAC Name4,4-difluoro-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1c[nH]c2ccc(-c3cnn(-c4ccc(C(F)(F)F)cc4)c3)cc12)C1CC(F)(F)CN1
InChIInChI=1S/C23H18F5N5O/c24-22(25)8-19(30-12-22)21(34)32-20-10-29-18-6-1-13(7-17(18)20)14-9-31-33(11-14)16-4-2-15(3-5-16)23(26,27)28/h1-7,9-11,19,29-30H,8,12H2,(H,32,34)
InChIKeyMIZKPEKUOYEILR-UHFFFAOYSA-N
XLogP4.98
TPSA74.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.42
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]azetidine-2-carboxamide
CID 166951799
N-methyl-N'-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]oxamide
CID 164573407
1-methyl-2-oxo-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]piperidine-4-carboxamide
CID 166951464
N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]-2H-triazole-4-carboxamide
CID 166951469
3,3,3-trifluoro-2-(hydroxymethyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]propanamide
CID 166951453
2-(1-aminocyclohexyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide
CID 162705288
N-(3-methoxycyclobutyl)-N'-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]oxamide
CID 164573382
4-cyano-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]oxane-4-carboxamide
CID 166951745
3-cyano-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]-1H-pyrazole-5-carboxamide
CID 166951467
3-imidazol-1-yl-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]propanamide
CID 162705223
N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-pyrrolo[3,2-b]pyridin-3-yl]cyclobutanecarboxamide
CID 166951748
N-[5-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-1H-indol-3-yl]cyclobutanecarboxamide
CID 166951845

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 4,4-difluoro-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]pyrrolidine-2-carboxamide (CID 170336737) is 4,4-difluoro-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]pyrrolidine-2-carboxamide is O=C(Nc1c[nH]c2ccc(-c3cnn(-c4ccc(C(F)(F)F)cc4)c3)cc12)C1CC(F)(F)CN1.
What is the InChIKey of 4,4-difluoro-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is MIZKPEKUOYEILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F5N5O/c24-22(25)8-19(30-12-22)21(34)32-20-10-29-18-6-1-13(7-17(18)20)14-9-31-33(11-14)16-4-2-15(3-5-16)23(26,27)28/h1-7,9-11,19,29-30H,8,12H2,(H,32,34).
What are the key properties of 4,4-difluoro-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]pyrrolidine-2-carboxamide?
4,4-difluoro-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 475.42 g/mol, XLogP of 4.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 170336737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).