N-[4-[[3-chloro-2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-phenyl-5-(trifluoromethyl)imidazole-4-carboxamide

C26H18ClF4N5O3 — CID 167269585

IUPACN-[4-[[3-chloro-2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-phenyl-5-(trifluoromethyl)imidazole-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc(NC(=O)C3CC3)c2Cl)c(F)c1)c1ncn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C26H18ClF4N5O3/c27-20-19(10-11-32-23(20)35-24(37)14-6-7-14)39-18-9-8-15(12-17(18)28)34-25(38)21-22(26(29,30)31)36(13-33-21)16-4-2-1-3-5-16/h1-5,8-14H,6-7H2,(H,34,38)(H,32,35,37)
InChIKeyPSNUQHWBEZYMEW-UHFFFAOYSA-N
MW559.91 g/mol
LogP6.47
Rot. Bonds7

About N-[4-[[3-chloro-2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-phenyl-5-(trifluoromethyl)imidazole-4-carboxamide

N-[4-[[3-chloro-2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-phenyl-5-(trifluoromethyl)imidazole-4-carboxamide (PubChem CID 167269585) has the molecular formula C26H18ClF4N5O3 and a molecular weight of 559.91 g/mol. Its IUPAC name is N-[4-[[3-chloro-2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-phenyl-5-(trifluoromethyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-chloro-2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-phenyl-5-(trifluoromethyl)imidazole-4-carboxamide
PubChem CID167269585
Molecular FormulaC26H18ClF4N5O3
Molecular Weight559.91 g/mol
Exact Mass559.10
IUPAC NameN-[4-[[3-chloro-2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-phenyl-5-(trifluoromethyl)imidazole-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccnc(NC(=O)C3CC3)c2Cl)c(F)c1)c1ncn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C26H18ClF4N5O3/c27-20-19(10-11-32-23(20)35-24(37)14-6-7-14)39-18-9-8-15(12-17(18)28)34-25(38)21-22(26(29,30)31)36(13-33-21)16-4-2-1-3-5-16/h1-5,8-14H,6-7H2,(H,34,38)(H,32,35,37)
InChIKeyPSNUQHWBEZYMEW-UHFFFAOYSA-N
XLogP6.47
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.91
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-phosphanylphenyl]-1-phenyl-5-(trifluoromethyl)imidazole-4-carboxamide
CID 167270176
2-(3-chlorophenyl)-N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 162660316
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 166545418
N-[4-[2-fluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233803
N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide
CID 162664657
2-[4-[(2-acetamido-3-chloro-4-pyridinyl)oxy]-3-fluoroanilino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 171481540
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 166545400
N-[4-[[3-chloro-2-(diacetylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 90032668
N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide
CID 66968949
N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-4-methyl-6-oxopyridazine-3-carboxamide
CID 162670779
1-(2-bromophenyl)-N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide
CID 175690442
N-[4-[5-chloro-6-(cyclopropylamino)pyrimidin-4-yl]oxy-3-fluorophenyl]-1-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 166545393

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-chloro-2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-phenyl-5-(trifluoromethyl)imidazole-4-carboxamide?
The IUPAC name of N-[4-[[3-chloro-2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-phenyl-5-(trifluoromethyl)imidazole-4-carboxamide (CID 167269585) is N-[4-[[3-chloro-2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-phenyl-5-(trifluoromethyl)imidazole-4-carboxamide.
What is the SMILES notation for N-[4-[[3-chloro-2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-phenyl-5-(trifluoromethyl)imidazole-4-carboxamide?
The canonical SMILES for N-[4-[[3-chloro-2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-phenyl-5-(trifluoromethyl)imidazole-4-carboxamide is O=C(Nc1ccc(Oc2ccnc(NC(=O)C3CC3)c2Cl)c(F)c1)c1ncn(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of N-[4-[[3-chloro-2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-phenyl-5-(trifluoromethyl)imidazole-4-carboxamide?
The InChIKey is PSNUQHWBEZYMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClF4N5O3/c27-20-19(10-11-32-23(20)35-24(37)14-6-7-14)39-18-9-8-15(12-17(18)28)34-25(38)21-22(26(29,30)31)36(13-33-21)16-4-2-1-3-5-16/h1-5,8-14H,6-7H2,(H,34,38)(H,32,35,37).
What are the key properties of N-[4-[[3-chloro-2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-phenyl-5-(trifluoromethyl)imidazole-4-carboxamide?
N-[4-[[3-chloro-2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-phenyl-5-(trifluoromethyl)imidazole-4-carboxamide has a molecular weight of 559.91 g/mol, XLogP of 6.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-chloro-2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-phenyl-5-(trifluoromethyl)imidazole-4-carboxamide is sourced from PubChem (CID 167269585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).