tert-butyl 4-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]-3-pyridinyl]amino]-2,2-dimethyl-4-oxobutanoate

C25H31N5O5 — CID 172553359

IUPACtert-butyl 4-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]-3-pyridinyl]amino]-2,2-dimethyl-4-oxobutanoate
SMILESCNC(=O)c1n[nH]c2cc(-c3cnc(OC)c(NC(=O)CC(C)(C)C(=O)OC(C)(C)C)c3)ccc12
InChIInChI=1S/C25H31N5O5/c1-24(2,3)35-23(33)25(4,5)12-19(31)28-18-11-15(13-27-22(18)34-7)14-8-9-16-17(10-14)29-30-20(16)21(32)26-6/h8-11,13H,12H2,1-7H3,(H,26,32)(H,28,31)(H,29,30)
InChIKeyVEJJAAKRYUTCOI-UHFFFAOYSA-N
MW481.55 g/mol
LogP3.69
Rot. Bonds7

About tert-butyl 4-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]-3-pyridinyl]amino]-2,2-dimethyl-4-oxobutanoate

tert-butyl 4-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]-3-pyridinyl]amino]-2,2-dimethyl-4-oxobutanoate (PubChem CID 172553359) has the molecular formula C25H31N5O5 and a molecular weight of 481.55 g/mol. Its IUPAC name is tert-butyl 4-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]-3-pyridinyl]amino]-2,2-dimethyl-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 4-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]-3-pyridinyl]amino]-2,2-dimethyl-4-oxobutanoate
PubChem CID172553359
Molecular FormulaC25H31N5O5
Molecular Weight481.55 g/mol
Exact Mass481.23
IUPAC Nametert-butyl 4-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]-3-pyridinyl]amino]-2,2-dimethyl-4-oxobutanoate
SMILESCNC(=O)c1n[nH]c2cc(-c3cnc(OC)c(NC(=O)CC(C)(C)C(=O)OC(C)(C)C)c3)ccc12
InChIInChI=1S/C25H31N5O5/c1-24(2,3)35-23(33)25(4,5)12-19(31)28-18-11-15(13-27-22(18)34-7)14-8-9-16-17(10-14)29-30-20(16)21(32)26-6/h8-11,13H,12H2,1-7H3,(H,26,32)(H,28,31)(H,29,30)
InChIKeyVEJJAAKRYUTCOI-UHFFFAOYSA-N
XLogP3.69
TPSA135.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]-3-pyridinyl]amino]-2,2-dimethyl-4-oxobutanoate with MolForge

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Related Compounds

tert-butyl 3-[[2-(deuteriomethoxy)-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]-2,2-dimethylpropanoate
CID 166041477
tert-butyl 3-[[5-[3-(methylcarbamoyl)-1H-indazol-6-yl]-2-(trideuteriomethoxy)pyridine-3-carbonyl]amino]propanoate
CID 175664700
3-[[5-[3-(deuteriomethylcarbamoyl)-1H-indazol-6-yl]-2-methoxypyridine-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 175819792
[3-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]cyclohexyl]carbamic acid
CID 146443634
6-[6-methoxy-5-[[2-(2-methylpropoxy)phenyl]methylcarbamoyl]-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide
CID 166041487
6-[5-[[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylcarbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide
CID 166041334
tert-butyl (3R)-3-[[2-deuterio-4-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]pyridine-3-carbonyl]amino]butanoate
CID 175813309
6-[5-[2-[(1R)-1-(4-fluorophenyl)ethyl]tetrazol-5-yl]-6-methoxy-3-pyridinyl]-N-(trideuteriomethyl)-1H-indazole-3-carboxamide
CID 175664330
6-[5-[[3-[cyclopropylmethyl(propyl)carbamoyl]cyclohexyl]carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-1H-indazole-3-carboxamide
CID 166041450
N-methyl-6-[6-(trideuteriomethoxy)-5-[[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 175664699
6-[6-(deuteriomethoxy)-5-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]carbamoyl]-3-pyridinyl]-N-(deuteriomethyl)-1H-indazole-3-carboxamide
CID 166041359
6-[6-(deuteriomethoxy)-5-[1-[5-fluoro-2-(trifluoromethyl)phenyl]ethylcarbamoyl]-3-pyridinyl]-N-(deuteriomethyl)-1H-indazole-3-carboxamide
CID 166041434

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]-3-pyridinyl]amino]-2,2-dimethyl-4-oxobutanoate?
The IUPAC name of tert-butyl 4-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]-3-pyridinyl]amino]-2,2-dimethyl-4-oxobutanoate (CID 172553359) is tert-butyl 4-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]-3-pyridinyl]amino]-2,2-dimethyl-4-oxobutanoate.
What is the SMILES notation for tert-butyl 4-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]-3-pyridinyl]amino]-2,2-dimethyl-4-oxobutanoate?
The canonical SMILES for tert-butyl 4-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]-3-pyridinyl]amino]-2,2-dimethyl-4-oxobutanoate is CNC(=O)c1n[nH]c2cc(-c3cnc(OC)c(NC(=O)CC(C)(C)C(=O)OC(C)(C)C)c3)ccc12.
What is the InChIKey of tert-butyl 4-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]-3-pyridinyl]amino]-2,2-dimethyl-4-oxobutanoate?
The InChIKey is VEJJAAKRYUTCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O5/c1-24(2,3)35-23(33)25(4,5)12-19(31)28-18-11-15(13-27-22(18)34-7)14-8-9-16-17(10-14)29-30-20(16)21(32)26-6/h8-11,13H,12H2,1-7H3,(H,26,32)(H,28,31)(H,29,30).
What are the key properties of tert-butyl 4-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]-3-pyridinyl]amino]-2,2-dimethyl-4-oxobutanoate?
tert-butyl 4-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]-3-pyridinyl]amino]-2,2-dimethyl-4-oxobutanoate has a molecular weight of 481.55 g/mol, XLogP of 3.69, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[2-methoxy-5-[3-(methylcarbamoyl)-1H-indazol-6-yl]-3-pyridinyl]amino]-2,2-dimethyl-4-oxobutanoate is sourced from PubChem (CID 172553359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).