N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]-1H-indazol-3-yl]pyridine-3-carboxamide

C27H18F3N5O3 — CID 143770344

IUPACN-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]-1H-indazol-3-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Oc2ccc3c(NC(=O)c4cccnc4)n[nH]c3c2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H18F3N5O3/c28-27(29,30)18-6-1-4-16(12-18)25(36)32-19-7-2-8-20(13-19)38-21-9-10-22-23(14-21)34-35-24(22)33-26(37)17-5-3-11-31-15-17/h1-15H,(H,32,36)(H2,33,34,35,37)
InChIKeyFWHYUYHLDJRSCB-UHFFFAOYSA-N
MW517.47 g/mol
LogP6.27
Rot. Bonds6

About N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]-1H-indazol-3-yl]pyridine-3-carboxamide

N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]-1H-indazol-3-yl]pyridine-3-carboxamide (PubChem CID 143770344) has the molecular formula C27H18F3N5O3 and a molecular weight of 517.47 g/mol. Its IUPAC name is N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]-1H-indazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]-1H-indazol-3-yl]pyridine-3-carboxamide
PubChem CID143770344
Molecular FormulaC27H18F3N5O3
Molecular Weight517.47 g/mol
Exact Mass517.14
IUPAC NameN-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]-1H-indazol-3-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Oc2ccc3c(NC(=O)c4cccnc4)n[nH]c3c2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H18F3N5O3/c28-27(29,30)18-6-1-4-16(12-18)25(36)32-19-7-2-8-20(13-19)38-21-9-10-22-23(14-21)34-35-24(22)33-26(37)17-5-3-11-31-15-17/h1-15H,(H,32,36)(H2,33,34,35,37)
InChIKeyFWHYUYHLDJRSCB-UHFFFAOYSA-N
XLogP6.27
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.47
LogP ≤ 56.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337430
N-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55631172
N-[3-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 51939972
3-chloro-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337765
3-chloro-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide
CID 58337701
ethyl 6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1H-indazole-3-carboxylate
CID 46235932
N-[3-[[3-[2-(furan-2-yl)ethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
CID 69373493
N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]pyridine-3-carboxamide
CID 113048977
2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 24961098
4-(3-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16650952
N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzamide
CID 43429418
N-[3-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 51940025

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]-1H-indazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]-1H-indazol-3-yl]pyridine-3-carboxamide (CID 143770344) is N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]-1H-indazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]-1H-indazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]-1H-indazol-3-yl]pyridine-3-carboxamide is O=C(Nc1cccc(Oc2ccc3c(NC(=O)c4cccnc4)n[nH]c3c2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]-1H-indazol-3-yl]pyridine-3-carboxamide?
The InChIKey is FWHYUYHLDJRSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F3N5O3/c28-27(29,30)18-6-1-4-16(12-18)25(36)32-19-7-2-8-20(13-19)38-21-9-10-22-23(14-21)34-35-24(22)33-26(37)17-5-3-11-31-15-17/h1-15H,(H,32,36)(H2,33,34,35,37).
What are the key properties of N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]-1H-indazol-3-yl]pyridine-3-carboxamide?
N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]-1H-indazol-3-yl]pyridine-3-carboxamide has a molecular weight of 517.47 g/mol, XLogP of 6.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]-1H-indazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 143770344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).