4-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]indol-1-yl]-N-methylpyridine-2-carboxamide

C23H17F4N5O2 — CID 162646366

IUPAC4-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]indol-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(-n2ccc3cc(NC(=O)Nc4ccc(F)c(C(F)(F)F)c4)ccc32)ccn1
InChIInChI=1S/C23H17F4N5O2/c1-28-21(33)19-12-16(6-8-29-19)32-9-7-13-10-14(3-5-20(13)32)30-22(34)31-15-2-4-18(24)17(11-15)23(25,26)27/h2-12H,1H3,(H,28,33)(H2,30,31,34)
InChIKeyDURNRDCWKHGWQP-UHFFFAOYSA-N
MW471.41 g/mol
LogP5.19
Rot. Bonds4

About 4-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]indol-1-yl]-N-methylpyridine-2-carboxamide

4-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]indol-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 162646366) has the molecular formula C23H17F4N5O2 and a molecular weight of 471.41 g/mol. Its IUPAC name is 4-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]indol-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]indol-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID162646366
Molecular FormulaC23H17F4N5O2
Molecular Weight471.41 g/mol
Exact Mass471.13
IUPAC Name4-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]indol-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(-n2ccc3cc(NC(=O)Nc4ccc(F)c(C(F)(F)F)c4)ccc32)ccn1
InChIInChI=1S/C23H17F4N5O2/c1-28-21(33)19-12-16(6-8-29-19)32-9-7-13-10-14(3-5-20(13)32)30-22(34)31-15-2-4-18(24)17(11-15)23(25,26)27/h2-12H,1H3,(H,28,33)(H2,30,31,34)
InChIKeyDURNRDCWKHGWQP-UHFFFAOYSA-N
XLogP5.19
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.41
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]indol-1-yl]-N-methylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]indol-1-yl]-N-methylpyridine-2-carboxamide
CID 162654880
N-methyl-4-[5-[[3-(trifluoromethyl)phenyl]carbamoylamino]indol-1-yl]pyridine-2-carboxamide
CID 162649978
4-(5-benzamidoindol-1-yl)-N-methylpyridine-2-carboxamide
CID 162675882
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylurea
CID 47456942
4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 62159635
N-methyl-4-[2-methyl-4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 142963034
4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 58263508
(2S)-2-amino-N-[1-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]indol-5-yl]-3-methylbutanamide
CID 143092998
4-[4-[[4-(2,4-difluoropyrimidin-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 58264095
4-[4-[[4-(2,4-difluoropyridine-3-carbonyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 58263834
4-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide
CID 122180068
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]phenoxy]-N-methylpyridine-2-carboxamide
CID 125337923

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]indol-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]indol-1-yl]-N-methylpyridine-2-carboxamide (CID 162646366) is 4-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]indol-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]indol-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]indol-1-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(-n2ccc3cc(NC(=O)Nc4ccc(F)c(C(F)(F)F)c4)ccc32)ccn1.
What is the InChIKey of 4-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]indol-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is DURNRDCWKHGWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F4N5O2/c1-28-21(33)19-12-16(6-8-29-19)32-9-7-13-10-14(3-5-20(13)32)30-22(34)31-15-2-4-18(24)17(11-15)23(25,26)27/h2-12H,1H3,(H,28,33)(H2,30,31,34).
What are the key properties of 4-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]indol-1-yl]-N-methylpyridine-2-carboxamide?
4-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]indol-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 471.41 g/mol, XLogP of 5.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]indol-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 162646366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).