4-[3-chloro-4-[[3-cyclobutyl-1-(3,5-dichlorophenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

C27H23Cl3N6O3 — CID 58385495

IUPAC4-[3-chloro-4-[[3-cyclobutyl-1-(3,5-dichlorophenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C4CCC4)nn3-c3cc(Cl)cc(Cl)c3)c(Cl)c2)ccn1
InChIInChI=1S/C27H23Cl3N6O3/c1-31-26(37)24-13-20(7-8-32-24)39-19-5-6-22(21(30)12-19)33-27(38)34-25-14-23(15-3-2-4-15)35-36(25)18-10-16(28)9-17(29)11-18/h5-15H,2-4H2,1H3,(H,31,37)(H2,33,34,38)
InChIKeyYEAVMYVWFBDJLJ-UHFFFAOYSA-N
MW585.88 g/mol
LogP7.29
Rot. Bonds7

About 4-[3-chloro-4-[[3-cyclobutyl-1-(3,5-dichlorophenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

4-[3-chloro-4-[[3-cyclobutyl-1-(3,5-dichlorophenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 58385495) has the molecular formula C27H23Cl3N6O3 and a molecular weight of 585.88 g/mol. Its IUPAC name is 4-[3-chloro-4-[[3-cyclobutyl-1-(3,5-dichlorophenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-chloro-4-[[3-cyclobutyl-1-(3,5-dichlorophenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID58385495
Molecular FormulaC27H23Cl3N6O3
Molecular Weight585.88 g/mol
Exact Mass584.09
IUPAC Name4-[3-chloro-4-[[3-cyclobutyl-1-(3,5-dichlorophenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C4CCC4)nn3-c3cc(Cl)cc(Cl)c3)c(Cl)c2)ccn1
InChIInChI=1S/C27H23Cl3N6O3/c1-31-26(37)24-13-20(7-8-32-24)39-19-5-6-22(21(30)12-19)33-27(38)34-25-14-23(15-3-2-4-15)35-36(25)18-10-16(28)9-17(29)11-18/h5-15H,2-4H2,1H3,(H,31,37)(H2,33,34,38)
InChIKeyYEAVMYVWFBDJLJ-UHFFFAOYSA-N
XLogP7.29
TPSA110.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.88
LogP ≤ 57.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[3-chloro-4-[[3-cyclobutyl-1-(3,5-dichlorophenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-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-[4-[[3-cyclobutyl-1-(3,5-dichlorophenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 58385327
4-[4-[[3-tert-butyl-1-(3-methoxyphenyl)pyrazol-5-yl]carbamoylamino]-3-chlorophenoxy]-N-methylpyridine-2-carboxamide
CID 58385468
4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 58385353
1-[3-cyclobutyl-1-(3,5-difluorophenyl)pyrazol-5-yl]-3-(2-fluoro-4-pyridin-4-yloxyphenyl)urea
CID 141209843
4-[4-[[3-cyclopentyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 58385508
4-[3-chloro-4-[(2-oxo-1,3-dihydroinden-5-yl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 10433934
4-[4-[carbamoyl-[3-cyclopentyl-1-(3,5-difluorophenyl)pyrazol-5-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 67330479
4-[4-[1-[(2,4-dichlorophenyl)carbamoylamino]cyclopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 10412466
4-[4-[[3-tert-butyl-1-[3-(hydroxymethyl)phenyl]pyrazol-5-yl]carbamoylamino]-3-chlorophenoxy]-N-methylpyridine-2-carboxamide;ethyl 3-[3-tert-butyl-5-[[2-chloro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamoylamino]pyrazol-1-yl]benzoate
CID 160947212
4-[4-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-3-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 58385486
4-[4-[(4-chloro-3-cyclopropyloxyphenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 155813322
4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-2-fluorophenoxy]pyridine-2-carboxamide
CID 58385328

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-[[3-cyclobutyl-1-(3,5-dichlorophenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[3-chloro-4-[[3-cyclobutyl-1-(3,5-dichlorophenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide (CID 58385495) is 4-[3-chloro-4-[[3-cyclobutyl-1-(3,5-dichlorophenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[3-chloro-4-[[3-cyclobutyl-1-(3,5-dichlorophenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[3-chloro-4-[[3-cyclobutyl-1-(3,5-dichlorophenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C4CCC4)nn3-c3cc(Cl)cc(Cl)c3)c(Cl)c2)ccn1.
What is the InChIKey of 4-[3-chloro-4-[[3-cyclobutyl-1-(3,5-dichlorophenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is YEAVMYVWFBDJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23Cl3N6O3/c1-31-26(37)24-13-20(7-8-32-24)39-19-5-6-22(21(30)12-19)33-27(38)34-25-14-23(15-3-2-4-15)35-36(25)18-10-16(28)9-17(29)11-18/h5-15H,2-4H2,1H3,(H,31,37)(H2,33,34,38).
What are the key properties of 4-[3-chloro-4-[[3-cyclobutyl-1-(3,5-dichlorophenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
4-[3-chloro-4-[[3-cyclobutyl-1-(3,5-dichlorophenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 585.88 g/mol, XLogP of 7.29, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-[[3-cyclobutyl-1-(3,5-dichlorophenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 58385495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).