4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-2-fluorophenoxy]pyridine-2-carboxamide

C27H25FN6O3 — CID 58385328

IUPAC4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-2-fluorophenoxy]pyridine-2-carboxamide
SMILESCc1cccc(-n2nc(C3CCC3)cc2NC(=O)Nc2ccc(Oc3ccnc(C(N)=O)c3)c(F)c2)c1
InChIInChI=1S/C27H25FN6O3/c1-16-4-2-7-19(12-16)34-25(15-22(33-34)17-5-3-6-17)32-27(36)31-18-8-9-24(21(28)13-18)37-20-10-11-30-23(14-20)26(29)35/h2,4,7-15,17H,3,5-6H2,1H3,(H2,29,35)(H2,31,32,36)
InChIKeyBGAOJKXBCHPMMZ-UHFFFAOYSA-N
MW500.53 g/mol
LogP5.52
Rot. Bonds7

About 4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-2-fluorophenoxy]pyridine-2-carboxamide

4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-2-fluorophenoxy]pyridine-2-carboxamide (PubChem CID 58385328) has the molecular formula C27H25FN6O3 and a molecular weight of 500.53 g/mol. Its IUPAC name is 4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-2-fluorophenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-2-fluorophenoxy]pyridine-2-carboxamide
PubChem CID58385328
Molecular FormulaC27H25FN6O3
Molecular Weight500.53 g/mol
Exact Mass500.20
IUPAC Name4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-2-fluorophenoxy]pyridine-2-carboxamide
SMILESCc1cccc(-n2nc(C3CCC3)cc2NC(=O)Nc2ccc(Oc3ccnc(C(N)=O)c3)c(F)c2)c1
InChIInChI=1S/C27H25FN6O3/c1-16-4-2-7-19(12-16)34-25(15-22(33-34)17-5-3-6-17)32-27(36)31-18-8-9-24(21(28)13-18)37-20-10-11-30-23(14-20)26(29)35/h2,4,7-15,17H,3,5-6H2,1H3,(H2,29,35)(H2,31,32,36)
InChIKeyBGAOJKXBCHPMMZ-UHFFFAOYSA-N
XLogP5.52
TPSA124.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.53
LogP ≤ 55.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-2-fluorophenoxy]pyridine-2-carboxamide with MolForge

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Related Compounds

4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 58385353
4-[4-[[3-cyclopentyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 58385508
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-methylphenyl)pyrazol-5-yl]carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide
CID 58385355
4-[4-[[3-tert-butyl-1-(3,5-dimethylphenyl)pyrazol-5-yl]carbamoylamino]-2-chlorophenoxy]pyridine-2-carboxamide
CID 58385506
4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-2-chlorophenoxy]pyridine-2-carboxamide
CID 58385344
3-[4-[(2-carbamoyl-4-pyridinyl)oxy]-3-fluoroanilino]-3-oxopropanoic acid
CID 141149507
1-[3-cyclobutyl-1-(3,5-difluorophenyl)pyrazol-5-yl]-3-(2-fluoro-4-pyridin-4-yloxyphenyl)urea
CID 141209843
4-[3-chloro-4-[[3-cyclobutyl-1-(3,5-dichlorophenyl)pyrazol-5-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 58385495
4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 58385436
1-[3-fluoro-4-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)phenyl]urea
CID 66729025
1-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-[3-(4-methylimidazol-1-yl)phenyl]urea
CID 66728742

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-2-fluorophenoxy]pyridine-2-carboxamide?
The IUPAC name of 4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-2-fluorophenoxy]pyridine-2-carboxamide (CID 58385328) is 4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-2-fluorophenoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-2-fluorophenoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-2-fluorophenoxy]pyridine-2-carboxamide is Cc1cccc(-n2nc(C3CCC3)cc2NC(=O)Nc2ccc(Oc3ccnc(C(N)=O)c3)c(F)c2)c1.
What is the InChIKey of 4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-2-fluorophenoxy]pyridine-2-carboxamide?
The InChIKey is BGAOJKXBCHPMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN6O3/c1-16-4-2-7-19(12-16)34-25(15-22(33-34)17-5-3-6-17)32-27(36)31-18-8-9-24(21(28)13-18)37-20-10-11-30-23(14-20)26(29)35/h2,4,7-15,17H,3,5-6H2,1H3,(H2,29,35)(H2,31,32,36).
What are the key properties of 4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-2-fluorophenoxy]pyridine-2-carboxamide?
4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-2-fluorophenoxy]pyridine-2-carboxamide has a molecular weight of 500.53 g/mol, XLogP of 5.52, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[3-cyclobutyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-2-fluorophenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 58385328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).