[3-[[4-(7-carbamoyl-5-fluoroindazol-2-yl)phenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate

C25H28FN5O4 — CID 175258614

IUPAC[3-[[4-(7-carbamoyl-5-fluoroindazol-2-yl)phenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCCC(C(=O)Nc2ccc(-n3cc4cc(F)cc(C(N)=O)c4n3)cc2)C1
InChIInChI=1S/C25H28FN5O4/c1-25(2,3)24(34)35-30-10-4-5-15(13-30)23(33)28-18-6-8-19(9-7-18)31-14-16-11-17(26)12-20(22(27)32)21(16)29-31/h6-9,11-12,14-15H,4-5,10,13H2,1-3H3,(H2,27,32)(H,28,33)
InChIKeyNKEIILDRJSSTJB-UHFFFAOYSA-N
MW481.53 g/mol
LogP3.42
Rot. Bonds5

About [3-[[4-(7-carbamoyl-5-fluoroindazol-2-yl)phenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate

[3-[[4-(7-carbamoyl-5-fluoroindazol-2-yl)phenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 175258614) has the molecular formula C25H28FN5O4 and a molecular weight of 481.53 g/mol. Its IUPAC name is [3-[[4-(7-carbamoyl-5-fluoroindazol-2-yl)phenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[3-[[4-(7-carbamoyl-5-fluoroindazol-2-yl)phenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID175258614
Molecular FormulaC25H28FN5O4
Molecular Weight481.53 g/mol
Exact Mass481.21
IUPAC Name[3-[[4-(7-carbamoyl-5-fluoroindazol-2-yl)phenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCCC(C(=O)Nc2ccc(-n3cc4cc(F)cc(C(N)=O)c4n3)cc2)C1
InChIInChI=1S/C25H28FN5O4/c1-25(2,3)24(34)35-30-10-4-5-15(13-30)23(33)28-18-6-8-19(9-7-18)31-14-16-11-17(26)12-20(22(27)32)21(16)29-31/h6-9,11-12,14-15H,4-5,10,13H2,1-3H3,(H2,27,32)(H,28,33)
InChIKeyNKEIILDRJSSTJB-UHFFFAOYSA-N
XLogP3.42
TPSA119.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [3-[[4-(7-carbamoyl-5-fluoroindazol-2-yl)phenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate with MolForge

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Related Compounds

2-[4-[[(2S)-1-methylpyrrolidine-2-carbonyl]amino]phenyl]indazole-7-carboxamide
CID 46226329
5-fluoro-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide
CID 24958203
2-[4-(piperidine-3-carbonylamino)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 171928955
2-[4-[(1-ethylpiperidine-2-carbonyl)amino]phenyl]indazole-7-carboxamide
CID 87362352
2-[4-[[(3R)-1-methylpyrrolidin-1-ium-3-carbonyl]amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetate
CID 87363458
2-[4-[(1-ethylpiperidin-1-ium-3-carbonyl)amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetate
CID 87362459
2-[4-[[(1S,3S)-3-aminocyclopentanecarbonyl]amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 171931596
[7-carbamoyl-5-fluoro-2-[3-fluoro-4-[(1-methylpiperidine-3-carbonyl)amino]phenyl]-3H-indazol-1-yl] 2,2,2-trifluoroacetate
CID 69178733
5-fluoro-2-[4-[[[1-(hydroxymethyl)cyclohexyl]methylamino]methyl]phenyl]indazole-7-carboxamide
CID 16750545
tert-butyl (3R)-3-[4-(7-carbamoylindazol-2-yl)phenyl]piperidine-1-carboxylate
CID 163488328
2-[4-[[(2R)-pyrrolidin-1-ium-2-carbonyl]amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetate
CID 87362242
tert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 42053071

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(7-carbamoyl-5-fluoroindazol-2-yl)phenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [3-[[4-(7-carbamoyl-5-fluoroindazol-2-yl)phenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate (CID 175258614) is [3-[[4-(7-carbamoyl-5-fluoroindazol-2-yl)phenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [3-[[4-(7-carbamoyl-5-fluoroindazol-2-yl)phenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [3-[[4-(7-carbamoyl-5-fluoroindazol-2-yl)phenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCCC(C(=O)Nc2ccc(-n3cc4cc(F)cc(C(N)=O)c4n3)cc2)C1.
What is the InChIKey of [3-[[4-(7-carbamoyl-5-fluoroindazol-2-yl)phenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is NKEIILDRJSSTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O4/c1-25(2,3)24(34)35-30-10-4-5-15(13-30)23(33)28-18-6-8-19(9-7-18)31-14-16-11-17(26)12-20(22(27)32)21(16)29-31/h6-9,11-12,14-15H,4-5,10,13H2,1-3H3,(H2,27,32)(H,28,33).
What are the key properties of [3-[[4-(7-carbamoyl-5-fluoroindazol-2-yl)phenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate?
[3-[[4-(7-carbamoyl-5-fluoroindazol-2-yl)phenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 481.53 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(7-carbamoyl-5-fluoroindazol-2-yl)phenyl]carbamoyl]piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 175258614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).