tert-butyl 6-(2-ethylindazol-5-yl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate

C20H27N3O2 — CID 169113974

IUPACtert-butyl 6-(2-ethylindazol-5-yl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCCn1cc2cc(C3=CCC(C)CN3C(=O)OC(C)(C)C)ccc2n1
InChIInChI=1S/C20H27N3O2/c1-6-22-13-16-11-15(8-9-17(16)21-22)18-10-7-14(2)12-23(18)19(24)25-20(3,4)5/h8-11,13-14H,6-7,12H2,1-5H3
InChIKeyBAXXDXOBMDKVNA-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.67
Rot. Bonds2

About tert-butyl 6-(2-ethylindazol-5-yl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate

tert-butyl 6-(2-ethylindazol-5-yl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 169113974) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is tert-butyl 6-(2-ethylindazol-5-yl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(2-ethylindazol-5-yl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID169113974
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Nametert-butyl 6-(2-ethylindazol-5-yl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCCn1cc2cc(C3=CCC(C)CN3C(=O)OC(C)(C)C)ccc2n1
InChIInChI=1S/C20H27N3O2/c1-6-22-13-16-11-15(8-9-17(16)21-22)18-10-7-14(2)12-23(18)19(24)25-20(3,4)5/h8-11,13-14H,6-7,12H2,1-5H3
InChIKeyBAXXDXOBMDKVNA-UHFFFAOYSA-N
XLogP4.67
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-methyl-6-(2-methylindazol-5-yl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 171618579
tert-butyl (3S)-6-[2-[2-(dimethylamino)ethyl]indazol-6-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 169112628
tert-butyl 3-methyl-6-(4-methylphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 169113845
tert-butyl (3S)-3-methyl-6-quinolin-7-yl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 169114964
tert-butyl 6-(1,2-benzothiazol-5-yl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 164752800
tert-butyl 3-methyl-6-(3-methylquinolin-7-yl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 169113872
tert-butyl 6-(1,3-benzothiazol-5-yl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 164753620
tert-butyl (3S)-3-methyl-6-[2-(oxolan-3-yl)indazol-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate
CID 169112231
tert-butyl (3S)-3-methyl-6-[2-(1-methylpyrrolidin-3-yl)indazol-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate
CID 170083473
tert-butyl (3S)-6-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]indazol-6-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 176754580
tert-butyl 6-[2-(1,3-dimethylpiperidin-4-yl)indazol-6-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 169113679
tert-butyl 3-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 164751953

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(2-ethylindazol-5-yl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 6-(2-ethylindazol-5-yl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate (CID 169113974) is tert-butyl 6-(2-ethylindazol-5-yl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 6-(2-ethylindazol-5-yl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 6-(2-ethylindazol-5-yl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate is CCn1cc2cc(C3=CCC(C)CN3C(=O)OC(C)(C)C)ccc2n1.
What is the InChIKey of tert-butyl 6-(2-ethylindazol-5-yl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is BAXXDXOBMDKVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-6-22-13-16-11-15(8-9-17(16)21-22)18-10-7-14(2)12-23(18)19(24)25-20(3,4)5/h8-11,13-14H,6-7,12H2,1-5H3.
What are the key properties of tert-butyl 6-(2-ethylindazol-5-yl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 6-(2-ethylindazol-5-yl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 341.46 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(2-ethylindazol-5-yl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 169113974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).