tert-butyl 4-[3-carbamoyl-5-(2-fluoro-4-pyridinyl)indazol-1-yl]piperidine-1-carboxylate

C23H26FN5O3 — CID 175283411

IUPACtert-butyl 4-[3-carbamoyl-5-(2-fluoro-4-pyridinyl)indazol-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2nc(C(N)=O)c3cc(-c4ccnc(F)c4)ccc32)CC1
InChIInChI=1S/C23H26FN5O3/c1-23(2,3)32-22(31)28-10-7-16(8-11-28)29-18-5-4-14(15-6-9-26-19(24)13-15)12-17(18)20(27-29)21(25)30/h4-6,9,12-13,16H,7-8,10-11H2,1-3H3,(H2,25,30)
InChIKeySDZMXXHWARSCEO-UHFFFAOYSA-N
MW439.49 g/mol
LogP3.91
Rot. Bonds3

About tert-butyl 4-[3-carbamoyl-5-(2-fluoro-4-pyridinyl)indazol-1-yl]piperidine-1-carboxylate

tert-butyl 4-[3-carbamoyl-5-(2-fluoro-4-pyridinyl)indazol-1-yl]piperidine-1-carboxylate (PubChem CID 175283411) has the molecular formula C23H26FN5O3 and a molecular weight of 439.49 g/mol. Its IUPAC name is tert-butyl 4-[3-carbamoyl-5-(2-fluoro-4-pyridinyl)indazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-carbamoyl-5-(2-fluoro-4-pyridinyl)indazol-1-yl]piperidine-1-carboxylate
PubChem CID175283411
Molecular FormulaC23H26FN5O3
Molecular Weight439.49 g/mol
Exact Mass439.20
IUPAC Nametert-butyl 4-[3-carbamoyl-5-(2-fluoro-4-pyridinyl)indazol-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2nc(C(N)=O)c3cc(-c4ccnc(F)c4)ccc32)CC1
InChIInChI=1S/C23H26FN5O3/c1-23(2,3)32-22(31)28-10-7-16(8-11-28)29-18-5-4-14(15-6-9-26-19(24)13-15)12-17(18)20(27-29)21(25)30/h4-6,9,12-13,16H,7-8,10-11H2,1-3H3,(H2,25,30)
InChIKeySDZMXXHWARSCEO-UHFFFAOYSA-N
XLogP3.91
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-(3-carbamoyl-8-phenylpyrazolo[4,5-h]quinazolin-1-yl)piperidine-1-carboxylate
CID 67975533
tert-butyl 4-(3-carbamoyl-8-methoxypyrazolo[4,5-h]quinazolin-1-yl)piperidine-1-carboxylate
CID 67975749
tert-butyl 4-[5-carbamoyl-3-(2-methylsulfanylpyrimidin-4-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 70873779
tert-butyl 4-(3-carbamoyl-8-pyrrolidin-1-ylpyrazolo[4,5-h]quinazolin-1-yl)piperidine-1-carboxylate
CID 67975453
tert-butyl 4-(3-bromoindazol-1-yl)azepane-1-carboxylate
CID 178042915
tert-butyl 4-[4-oxo-6-[4-(trifluoromethoxy)phenyl]-1,2,3-benzotriazin-3-yl]piperidine-1-carboxylate
CID 70974610
tert-butyl 4-[[2,6-difluoro-4-(2-methoxy-4-pyridinyl)phenoxy]methyl]piperidine-1-carboxylate
CID 44610577
tert-butyl 4-(4-carbamoyl-2-pyridinyl)piperidine-1-carboxylate
CID 175285120
tert-butyl 4-[3-[(4R)-4-(difluoromethyl)-2-oxo-1,4-dihydropyrido[2,3-d][1,3]oxazin-5-yl]-6-fluoroindazol-1-yl]piperidine-1-carboxylate
CID 178042928
tert-butyl 4-[3-fluoro-4-[5-[2-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,2,4-triazol-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170665462
tert-butyl 3-(4-amino-3-iodopyrazolo[4,3-c]pyridin-1-yl)pyrrolidine-1-carboxylate
CID 175458913
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-phenylindazole-4-carboxylic acid
CID 24746486

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-carbamoyl-5-(2-fluoro-4-pyridinyl)indazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-carbamoyl-5-(2-fluoro-4-pyridinyl)indazol-1-yl]piperidine-1-carboxylate (CID 175283411) is tert-butyl 4-[3-carbamoyl-5-(2-fluoro-4-pyridinyl)indazol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-carbamoyl-5-(2-fluoro-4-pyridinyl)indazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-carbamoyl-5-(2-fluoro-4-pyridinyl)indazol-1-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2nc(C(N)=O)c3cc(-c4ccnc(F)c4)ccc32)CC1.
What is the InChIKey of tert-butyl 4-[3-carbamoyl-5-(2-fluoro-4-pyridinyl)indazol-1-yl]piperidine-1-carboxylate?
The InChIKey is SDZMXXHWARSCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O3/c1-23(2,3)32-22(31)28-10-7-16(8-11-28)29-18-5-4-14(15-6-9-26-19(24)13-15)12-17(18)20(27-29)21(25)30/h4-6,9,12-13,16H,7-8,10-11H2,1-3H3,(H2,25,30).
What are the key properties of tert-butyl 4-[3-carbamoyl-5-(2-fluoro-4-pyridinyl)indazol-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[3-carbamoyl-5-(2-fluoro-4-pyridinyl)indazol-1-yl]piperidine-1-carboxylate has a molecular weight of 439.49 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-carbamoyl-5-(2-fluoro-4-pyridinyl)indazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 175283411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).