tert-butyl 7-[6-[6-(methoxymethoxy)-2-methylindazol-5-yl]-1,5-naphthyridin-2-yl]-4-azaspiro[2.5]oct-6-ene-4-carboxylate

C30H33N5O4 — CID 168978029

IUPACtert-butyl 7-[6-[6-(methoxymethoxy)-2-methylindazol-5-yl]-1,5-naphthyridin-2-yl]-4-azaspiro[2.5]oct-6-ene-4-carboxylate
SMILESCOCOc1cc2nn(C)cc2cc1-c1ccc2nc(C3=CCN(C(=O)OC(C)(C)C)C4(CC4)C3)ccc2n1
InChIInChI=1S/C30H33N5O4/c1-29(2,3)39-28(36)35-13-10-19(16-30(35)11-12-30)22-6-8-25-24(31-22)9-7-23(32-25)21-14-20-17-34(4)33-26(20)15-27(21)38-18-37-5/h6-10,14-15,17H,11-13,16,18H2,1-5H3
InChIKeyKDOGNAGHOLECAI-UHFFFAOYSA-N
MW527.63 g/mol
LogP5.72
Rot. Bonds5

About tert-butyl 7-[6-[6-(methoxymethoxy)-2-methylindazol-5-yl]-1,5-naphthyridin-2-yl]-4-azaspiro[2.5]oct-6-ene-4-carboxylate

tert-butyl 7-[6-[6-(methoxymethoxy)-2-methylindazol-5-yl]-1,5-naphthyridin-2-yl]-4-azaspiro[2.5]oct-6-ene-4-carboxylate (PubChem CID 168978029) has the molecular formula C30H33N5O4 and a molecular weight of 527.63 g/mol. Its IUPAC name is tert-butyl 7-[6-[6-(methoxymethoxy)-2-methylindazol-5-yl]-1,5-naphthyridin-2-yl]-4-azaspiro[2.5]oct-6-ene-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-[6-[6-(methoxymethoxy)-2-methylindazol-5-yl]-1,5-naphthyridin-2-yl]-4-azaspiro[2.5]oct-6-ene-4-carboxylate
PubChem CID168978029
Molecular FormulaC30H33N5O4
Molecular Weight527.63 g/mol
Exact Mass527.25
IUPAC Nametert-butyl 7-[6-[6-(methoxymethoxy)-2-methylindazol-5-yl]-1,5-naphthyridin-2-yl]-4-azaspiro[2.5]oct-6-ene-4-carboxylate
SMILESCOCOc1cc2nn(C)cc2cc1-c1ccc2nc(C3=CCN(C(=O)OC(C)(C)C)C4(CC4)C3)ccc2n1
InChIInChI=1S/C30H33N5O4/c1-29(2,3)39-28(36)35-13-10-19(16-30(35)11-12-30)22-6-8-25-24(31-22)9-7-23(32-25)21-14-20-17-34(4)33-26(20)15-27(21)38-18-37-5/h6-10,14-15,17H,11-13,16,18H2,1-5H3
InChIKeyKDOGNAGHOLECAI-UHFFFAOYSA-N
XLogP5.72
TPSA91.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.63
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[5-[6-(methoxymethoxy)-2-methylindazol-5-yl]pyrazolo[4,3-b]pyridin-2-yl]piperidine-1-carboxylate
CID 168902520
tert-butyl 2-ethyl-4-[6-[6-(methoxymethoxy)-2-methylindazol-5-yl]-1,5-naphthyridin-2-yl]piperazine-1-carboxylate
CID 169082148
tert-butyl (2R,6S)-4-[8-fluoro-2-[6-(methoxymethoxy)-2-methylindazol-5-yl]quinolin-6-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 168977509
tert-butyl 3-[6-[2-(methoxymethoxy)-4-(2-methylindazol-5-yl)phenyl]pyridazin-3-yl]azetidine-1-carboxylate
CID 168895317
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
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 (2S,6R)-4-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]pyrido[2,3-b]pyrazin-2-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 168978776
tert-butyl (2S,6S)-4-[8-fluoro-2-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]quinolin-6-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 168978237
tert-butyl N-[(3S)-1-[6-[6-(methoxymethoxy)-2-methyl-1H-indol-5-yl]-1,5-naphthyridin-2-yl]pyrrolidin-3-yl]carbamate
CID 175486541
tert-butyl (2S,6R)-4-[7-[7-fluoro-6-(methoxymethoxy)-2-methylindazol-5-yl]-1,8-naphthyridin-3-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 168978921
tert-butyl N-cyclopropyl-N-[(3R)-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]pyrido[3,2-d]pyrimidin-2-yl]pyrrolidin-3-yl]carbamate
CID 168977584
tert-butyl 4-[6-(2,7-dimethylindazol-5-yl)quinolin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 137357476

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[6-[6-(methoxymethoxy)-2-methylindazol-5-yl]-1,5-naphthyridin-2-yl]-4-azaspiro[2.5]oct-6-ene-4-carboxylate?
The IUPAC name of tert-butyl 7-[6-[6-(methoxymethoxy)-2-methylindazol-5-yl]-1,5-naphthyridin-2-yl]-4-azaspiro[2.5]oct-6-ene-4-carboxylate (CID 168978029) is tert-butyl 7-[6-[6-(methoxymethoxy)-2-methylindazol-5-yl]-1,5-naphthyridin-2-yl]-4-azaspiro[2.5]oct-6-ene-4-carboxylate.
What is the SMILES notation for tert-butyl 7-[6-[6-(methoxymethoxy)-2-methylindazol-5-yl]-1,5-naphthyridin-2-yl]-4-azaspiro[2.5]oct-6-ene-4-carboxylate?
The canonical SMILES for tert-butyl 7-[6-[6-(methoxymethoxy)-2-methylindazol-5-yl]-1,5-naphthyridin-2-yl]-4-azaspiro[2.5]oct-6-ene-4-carboxylate is COCOc1cc2nn(C)cc2cc1-c1ccc2nc(C3=CCN(C(=O)OC(C)(C)C)C4(CC4)C3)ccc2n1.
What is the InChIKey of tert-butyl 7-[6-[6-(methoxymethoxy)-2-methylindazol-5-yl]-1,5-naphthyridin-2-yl]-4-azaspiro[2.5]oct-6-ene-4-carboxylate?
The InChIKey is KDOGNAGHOLECAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O4/c1-29(2,3)39-28(36)35-13-10-19(16-30(35)11-12-30)22-6-8-25-24(31-22)9-7-23(32-25)21-14-20-17-34(4)33-26(20)15-27(21)38-18-37-5/h6-10,14-15,17H,11-13,16,18H2,1-5H3.
What are the key properties of tert-butyl 7-[6-[6-(methoxymethoxy)-2-methylindazol-5-yl]-1,5-naphthyridin-2-yl]-4-azaspiro[2.5]oct-6-ene-4-carboxylate?
tert-butyl 7-[6-[6-(methoxymethoxy)-2-methylindazol-5-yl]-1,5-naphthyridin-2-yl]-4-azaspiro[2.5]oct-6-ene-4-carboxylate has a molecular weight of 527.63 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-[6-[6-(methoxymethoxy)-2-methylindazol-5-yl]-1,5-naphthyridin-2-yl]-4-azaspiro[2.5]oct-6-ene-4-carboxylate is sourced from PubChem (CID 168978029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).