methyl 2-[(4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-6-propan-2-yloxyindazole-5-carboxylate

C19H24N2O4 — CID 167137125

IUPACmethyl 2-[(4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-6-propan-2-yloxyindazole-5-carboxylate
SMILESCOC(=O)c1cc2cn([C@@]34CCC(C)(C3)OC4)nc2cc1OC(C)C
InChIInChI=1S/C19H24N2O4/c1-12(2)25-16-8-15-13(7-14(16)17(22)23-4)9-21(20-15)19-6-5-18(3,10-19)24-11-19/h7-9,12H,5-6,10-11H2,1-4H3/t18?,19-/m0/s1
InChIKeyBQYGNIDAZRRLIG-GGYWPGCISA-N
MW344.41 g/mol
LogP3.28
Rot. Bonds4

About methyl 2-[(4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-6-propan-2-yloxyindazole-5-carboxylate

methyl 2-[(4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-6-propan-2-yloxyindazole-5-carboxylate (PubChem CID 167137125) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is methyl 2-[(4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-6-propan-2-yloxyindazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-6-propan-2-yloxyindazole-5-carboxylate
PubChem CID167137125
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Namemethyl 2-[(4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-6-propan-2-yloxyindazole-5-carboxylate
SMILESCOC(=O)c1cc2cn([C@@]34CCC(C)(C3)OC4)nc2cc1OC(C)C
InChIInChI=1S/C19H24N2O4/c1-12(2)25-16-8-15-13(7-14(16)17(22)23-4)9-21(20-15)19-6-5-18(3,10-19)24-11-19/h7-9,12H,5-6,10-11H2,1-4H3/t18?,19-/m0/s1
InChIKeyBQYGNIDAZRRLIG-GGYWPGCISA-N
XLogP3.28
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-6-propan-2-yloxyindazole-5-carboxylate with MolForge

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Related Compounds

N-[1-[(1S,2R)-2-fluorocyclopropyl]-2-oxo-3-pyridinyl]-2-[(1S,4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-6-propan-2-yloxyindazole-5-carboxamide
CID 169223724
N-[1-[(1R,2R)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxyindazole-5-carboxamide
CID 167137250
2-[1-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-N-[1-[(1R,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-6-propan-2-yloxyindazole-5-carboxamide
CID 167136925
ethyl 6-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxylate
CID 170692861
6-cyclobutyloxy-N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)indazole-5-carboxamide
CID 164554527
ethane;methoxymethylbenzene;methyl 2-cyclohexyl-6-propan-2-yloxyindazole-5-carboxylate
CID 166472245
N-[6-(difluoromethyl)-2-pyridinyl]-2-[(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)methyl]-6-propan-2-yloxyindazole-5-carboxamide
CID 155444070
N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)-6-propan-2-yloxypyrazolo[3,4-b]pyridine-5-carboxamide
CID 164554607
methyl 2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-6-methoxyindazole-5-carboxylate
CID 163396417
N-(5-fluoro-1-methylpyrazol-3-yl)-2-[(1R,4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
CID 155437185
N-(5-fluoro-1-methylpyrazol-3-yl)-2-(1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
CID 155437117
methyl 6-propan-2-yloxy-1H-indazole-5-carboxylate
CID 167136916

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-6-propan-2-yloxyindazole-5-carboxylate?
The IUPAC name of methyl 2-[(4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-6-propan-2-yloxyindazole-5-carboxylate (CID 167137125) is methyl 2-[(4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-6-propan-2-yloxyindazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-6-propan-2-yloxyindazole-5-carboxylate?
The canonical SMILES for methyl 2-[(4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-6-propan-2-yloxyindazole-5-carboxylate is COC(=O)c1cc2cn([C@@]34CCC(C)(C3)OC4)nc2cc1OC(C)C.
What is the InChIKey of methyl 2-[(4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-6-propan-2-yloxyindazole-5-carboxylate?
The InChIKey is BQYGNIDAZRRLIG-GGYWPGCISA-N. The full InChI is InChI=1S/C19H24N2O4/c1-12(2)25-16-8-15-13(7-14(16)17(22)23-4)9-21(20-15)19-6-5-18(3,10-19)24-11-19/h7-9,12H,5-6,10-11H2,1-4H3/t18?,19-/m0/s1.
What are the key properties of methyl 2-[(4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-6-propan-2-yloxyindazole-5-carboxylate?
methyl 2-[(4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-6-propan-2-yloxyindazole-5-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-6-propan-2-yloxyindazole-5-carboxylate is sourced from PubChem (CID 167137125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).