tert-butyl 7-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate

C28H32N4O2 — CID 162755002

IUPACtert-butyl 7-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate
SMILESCc1c2ccncc2cc2c3cc(N4CCN(C(=O)OC(C)(C)C)C5(CC5)C4)ccc3n(C)c12
InChIInChI=1S/C28H32N4O2/c1-18-21-8-11-29-16-19(21)14-23-22-15-20(6-7-24(22)30(5)25(18)23)31-12-13-32(28(17-31)9-10-28)26(33)34-27(2,3)4/h6-8,11,14-16H,9-10,12-13,17H2,1-5H3
InChIKeyDFGQJYNOISUFSH-UHFFFAOYSA-N
MW456.59 g/mol
LogP5.78
Rot. Bonds1

About tert-butyl 7-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate

tert-butyl 7-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate (PubChem CID 162755002) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is tert-butyl 7-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate
PubChem CID162755002
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC Nametert-butyl 7-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate
SMILESCc1c2ccncc2cc2c3cc(N4CCN(C(=O)OC(C)(C)C)C5(CC5)C4)ccc3n(C)c12
InChIInChI=1S/C28H32N4O2/c1-18-21-8-11-29-16-19(21)14-23-22-15-20(6-7-24(22)30(5)25(18)23)31-12-13-32(28(17-31)9-10-28)26(33)34-27(2,3)4/h6-8,11,14-16H,9-10,12-13,17H2,1-5H3
InChIKeyDFGQJYNOISUFSH-UHFFFAOYSA-N
XLogP5.78
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 7-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 7-(4-carbamoyl-3-methoxyphenyl)-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 118618240
N,N,5,6-tetramethylpyrido[4,3-b]carbazole-9-carboxamide
CID 162755125
tert-butyl N-[(2S)-1-[(5,6-dimethylpyrido[4,3-b]carbazole-9-carbonyl)amino]propan-2-yl]carbamate
CID 162754954
ethyl 2-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4,7-diazaspiro[2.5]octan-7-yl]quinazoline-4-carboxylate
CID 168976930
tert-butyl 7-(4-fluoro-5-methyl-2-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 176665673
tert-butyl 7-[8-fluoro-2-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]quinolin-6-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 168977836
N-[(2S)-1-methoxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
CID 162755054
N-[(2S)-1-hydroxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
CID 162755186
tert-butyl 7-[4-(4-bromoimidazol-1-yl)phenyl]-1,7-diazaspiro[3.4]octane-1-carboxylate
CID 171101722
tert-butyl 7-(6-amino-4-methoxy-3-pyridinyl)-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 138674727
tert-butyl 7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 57477280
4-[4-[(2-methylpropan-2-yl)oxycarbonyl]-4,7-diazaspiro[2.5]octan-7-yl]-6-[(1S)-1-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyrimidine-2-carboxylic acid
CID 162375649

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate?
The IUPAC name of tert-butyl 7-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate (CID 162755002) is tert-butyl 7-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate.
What is the SMILES notation for tert-butyl 7-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate?
The canonical SMILES for tert-butyl 7-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate is Cc1c2ccncc2cc2c3cc(N4CCN(C(=O)OC(C)(C)C)C5(CC5)C4)ccc3n(C)c12.
What is the InChIKey of tert-butyl 7-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate?
The InChIKey is DFGQJYNOISUFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-18-21-8-11-29-16-19(21)14-23-22-15-20(6-7-24(22)30(5)25(18)23)31-12-13-32(28(17-31)9-10-28)26(33)34-27(2,3)4/h6-8,11,14-16H,9-10,12-13,17H2,1-5H3.
What are the key properties of tert-butyl 7-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate?
tert-butyl 7-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate has a molecular weight of 456.59 g/mol, XLogP of 5.78, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)-4,7-diazaspiro[2.5]octane-4-carboxylate is sourced from PubChem (CID 162755002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).