methyl 2-ethyl-4-[4-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-6-fluoroindazole-7-carboxylate

C23H33FN4O4 — CID 167501106

IUPACmethyl 2-ethyl-4-[4-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-6-fluoroindazole-7-carboxylate
SMILESCCn1cc2c(N3CCC(CC)(NC(=O)OC(C)(C)C)CC3)cc(F)c(C(=O)OC)c2n1
InChIInChI=1S/C23H33FN4O4/c1-7-23(25-21(30)32-22(3,4)5)9-11-27(12-10-23)17-13-16(24)18(20(29)31-6)19-15(17)14-28(8-2)26-19/h13-14H,7-12H2,1-6H3,(H,25,30)
InChIKeyCJDZUMMKISNDQC-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.26
Rot. Bonds5

About methyl 2-ethyl-4-[4-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-6-fluoroindazole-7-carboxylate

methyl 2-ethyl-4-[4-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-6-fluoroindazole-7-carboxylate (PubChem CID 167501106) has the molecular formula C23H33FN4O4 and a molecular weight of 448.54 g/mol. Its IUPAC name is methyl 2-ethyl-4-[4-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-6-fluoroindazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-4-[4-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-6-fluoroindazole-7-carboxylate
PubChem CID167501106
Molecular FormulaC23H33FN4O4
Molecular Weight448.54 g/mol
Exact Mass448.25
IUPAC Namemethyl 2-ethyl-4-[4-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-6-fluoroindazole-7-carboxylate
SMILESCCn1cc2c(N3CCC(CC)(NC(=O)OC(C)(C)C)CC3)cc(F)c(C(=O)OC)c2n1
InChIInChI=1S/C23H33FN4O4/c1-7-23(25-21(30)32-22(3,4)5)9-11-27(12-10-23)17-13-16(24)18(20(29)31-6)19-15(17)14-28(8-2)26-19/h13-14H,7-12H2,1-6H3,(H,25,30)
InChIKeyCJDZUMMKISNDQC-UHFFFAOYSA-N
XLogP4.26
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-ethyl-4-[4-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-6-fluoroindazole-7-carboxylate 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

methyl 2-ethyl-6-fluoro-4-[(3S)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]indazole-7-carboxylate
CID 167500880
tert-butyl 2-[1-(4-amino-2-fluorophenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]acetate
CID 156506108
2-ethyl-4-[4-ethyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]indazole-7-carboxylic acid
CID 167501434
methyl 4-bromo-2-fluoro-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]benzoate
CID 166637648
tert-butyl N-[1-(4,5-dimethoxy-2-nitrophenyl)-4-(hydroxymethyl)piperidin-4-yl]carbamate
CID 100668584
tert-butyl (2R)-4-(3,5-difluoro-4-methoxycarbonylphenyl)-2-methylpiperazine-1-carboxylate
CID 130211145
methyl 4-chloro-2-fluoro-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]benzoate
CID 90008210
methyl 2-[1-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]acetate
CID 164729551
ethyl 1-cyclopropyl-7-fluoro-8-[3-(fluoromethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-9-methyl-4-oxoquinolizine-3-carboxylate
CID 56630490
methyl 5-fluoro-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methoxy]benzoate
CID 170564432
tert-butyl N-[1-(3-bromo-5-chloro-2-formylphenyl)-3-(methoxymethyl)pyrrolidin-3-yl]carbamate
CID 156707269
1-cyclopropyl-6-fluoro-8-methoxy-7-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]-4-oxoquinoline-3-carboxylic acid
CID 19072250

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-4-[4-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-6-fluoroindazole-7-carboxylate?
The IUPAC name of methyl 2-ethyl-4-[4-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-6-fluoroindazole-7-carboxylate (CID 167501106) is methyl 2-ethyl-4-[4-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-6-fluoroindazole-7-carboxylate.
What is the SMILES notation for methyl 2-ethyl-4-[4-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-6-fluoroindazole-7-carboxylate?
The canonical SMILES for methyl 2-ethyl-4-[4-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-6-fluoroindazole-7-carboxylate is CCn1cc2c(N3CCC(CC)(NC(=O)OC(C)(C)C)CC3)cc(F)c(C(=O)OC)c2n1.
What is the InChIKey of methyl 2-ethyl-4-[4-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-6-fluoroindazole-7-carboxylate?
The InChIKey is CJDZUMMKISNDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN4O4/c1-7-23(25-21(30)32-22(3,4)5)9-11-27(12-10-23)17-13-16(24)18(20(29)31-6)19-15(17)14-28(8-2)26-19/h13-14H,7-12H2,1-6H3,(H,25,30).
What are the key properties of methyl 2-ethyl-4-[4-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-6-fluoroindazole-7-carboxylate?
methyl 2-ethyl-4-[4-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-6-fluoroindazole-7-carboxylate has a molecular weight of 448.54 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-4-[4-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-6-fluoroindazole-7-carboxylate is sourced from PubChem (CID 167501106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).