tert-butyl 2-ethyl-4-[6-[6-(methoxymethoxy)-2-methylindazol-5-yl]-1,5-naphthyridin-2-yl]piperazine-1-carboxylate

C29H36N6O4 — CID 169082148

IUPACtert-butyl 2-ethyl-4-[6-[6-(methoxymethoxy)-2-methylindazol-5-yl]-1,5-naphthyridin-2-yl]piperazine-1-carboxylate
SMILESCCC1CN(c2ccc3nc(-c4cc5cn(C)nc5cc4OCOC)ccc3n2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C29H36N6O4/c1-7-20-17-34(12-13-35(20)28(36)39-29(2,3)4)27-11-10-23-24(31-27)9-8-22(30-23)21-14-19-16-33(5)32-25(19)15-26(21)38-18-37-6/h8-11,14-16,20H,7,12-13,17-18H2,1-6H3
InChIKeyIWLOWIZPHZBSPL-UHFFFAOYSA-N
MW532.65 g/mol
LogP5.00
Rot. Bonds6

About tert-butyl 2-ethyl-4-[6-[6-(methoxymethoxy)-2-methylindazol-5-yl]-1,5-naphthyridin-2-yl]piperazine-1-carboxylate

tert-butyl 2-ethyl-4-[6-[6-(methoxymethoxy)-2-methylindazol-5-yl]-1,5-naphthyridin-2-yl]piperazine-1-carboxylate (PubChem CID 169082148) has the molecular formula C29H36N6O4 and a molecular weight of 532.65 g/mol. Its IUPAC name is tert-butyl 2-ethyl-4-[6-[6-(methoxymethoxy)-2-methylindazol-5-yl]-1,5-naphthyridin-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-ethyl-4-[6-[6-(methoxymethoxy)-2-methylindazol-5-yl]-1,5-naphthyridin-2-yl]piperazine-1-carboxylate
PubChem CID169082148
Molecular FormulaC29H36N6O4
Molecular Weight532.65 g/mol
Exact Mass532.28
IUPAC Nametert-butyl 2-ethyl-4-[6-[6-(methoxymethoxy)-2-methylindazol-5-yl]-1,5-naphthyridin-2-yl]piperazine-1-carboxylate
SMILESCCC1CN(c2ccc3nc(-c4cc5cn(C)nc5cc4OCOC)ccc3n2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C29H36N6O4/c1-7-20-17-34(12-13-35(20)28(36)39-29(2,3)4)27-11-10-23-24(31-27)9-8-22(30-23)21-14-19-16-33(5)32-25(19)15-26(21)38-18-37-6/h8-11,14-16,20H,7,12-13,17-18H2,1-6H3
InChIKeyIWLOWIZPHZBSPL-UHFFFAOYSA-N
XLogP5.00
TPSA94.84 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.65
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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 (2R,6S)-4-[8-fluoro-2-[6-(methoxymethoxy)-2-methylindazol-5-yl]quinolin-6-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 168977509
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
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 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 (2R)-4-(6-chloro-5-methoxycarbonyl-2-pyridinyl)-2-ethylpiperazine-1-carboxylate
CID 140797558
tert-butyl 3-[6-[2-(methoxymethoxy)-4-(2-methylindazol-5-yl)phenyl]pyridazin-3-yl]azetidine-1-carboxylate
CID 168895317
N-tert-butyl-1-[6-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]-1,5-naphthyridin-2-yl]pyrrolidin-3-amine
CID 162433469
5-[6-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]-2-methylindazol-6-ol
CID 162433822
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 (2R)-4-(4-bromophenyl)-2-ethylpiperazine-1-carboxylate
CID 174086040
2-methyl-5-[6-[(3S)-3-(propan-2-ylamino)pyrrolidin-1-yl]-1,5-naphthyridin-2-yl]indazol-6-ol
CID 162433630

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-ethyl-4-[6-[6-(methoxymethoxy)-2-methylindazol-5-yl]-1,5-naphthyridin-2-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 2-ethyl-4-[6-[6-(methoxymethoxy)-2-methylindazol-5-yl]-1,5-naphthyridin-2-yl]piperazine-1-carboxylate (CID 169082148) is tert-butyl 2-ethyl-4-[6-[6-(methoxymethoxy)-2-methylindazol-5-yl]-1,5-naphthyridin-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-ethyl-4-[6-[6-(methoxymethoxy)-2-methylindazol-5-yl]-1,5-naphthyridin-2-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2-ethyl-4-[6-[6-(methoxymethoxy)-2-methylindazol-5-yl]-1,5-naphthyridin-2-yl]piperazine-1-carboxylate is CCC1CN(c2ccc3nc(-c4cc5cn(C)nc5cc4OCOC)ccc3n2)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-ethyl-4-[6-[6-(methoxymethoxy)-2-methylindazol-5-yl]-1,5-naphthyridin-2-yl]piperazine-1-carboxylate?
The InChIKey is IWLOWIZPHZBSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O4/c1-7-20-17-34(12-13-35(20)28(36)39-29(2,3)4)27-11-10-23-24(31-27)9-8-22(30-23)21-14-19-16-33(5)32-25(19)15-26(21)38-18-37-6/h8-11,14-16,20H,7,12-13,17-18H2,1-6H3.
What are the key properties of tert-butyl 2-ethyl-4-[6-[6-(methoxymethoxy)-2-methylindazol-5-yl]-1,5-naphthyridin-2-yl]piperazine-1-carboxylate?
tert-butyl 2-ethyl-4-[6-[6-(methoxymethoxy)-2-methylindazol-5-yl]-1,5-naphthyridin-2-yl]piperazine-1-carboxylate has a molecular weight of 532.65 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-ethyl-4-[6-[6-(methoxymethoxy)-2-methylindazol-5-yl]-1,5-naphthyridin-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 169082148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).