ethyl 7-bromo-4-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-2-yl]amino]-2-chloro-1,5-naphthyridine-3-carboxylate

C24H37BrClN3O3Si — CID 162680417

IUPACethyl 7-bromo-4-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-2-yl]amino]-2-chloro-1,5-naphthyridine-3-carboxylate
SMILESCCCC[C@](C)(CO[Si](C)(C)C(C)(C)C)Nc1c(C(=O)OCC)c(Cl)nc2cc(Br)cnc12
InChIInChI=1S/C24H37BrClN3O3Si/c1-9-11-12-24(6,15-32-33(7,8)23(3,4)5)29-20-18(22(30)31-10-2)21(26)28-17-13-16(25)14-27-19(17)20/h13-14H,9-12,15H2,1-8H3,(H,28,29)/t24-/m1/s1
InChIKeyYHPYYXLCRNIUTO-XMMPIXPASA-N
MW559.02 g/mol
LogP7.61
Rot. Bonds10

About ethyl 7-bromo-4-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-2-yl]amino]-2-chloro-1,5-naphthyridine-3-carboxylate

ethyl 7-bromo-4-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-2-yl]amino]-2-chloro-1,5-naphthyridine-3-carboxylate (PubChem CID 162680417) has the molecular formula C24H37BrClN3O3Si and a molecular weight of 559.02 g/mol. Its IUPAC name is ethyl 7-bromo-4-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-2-yl]amino]-2-chloro-1,5-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-bromo-4-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-2-yl]amino]-2-chloro-1,5-naphthyridine-3-carboxylate
PubChem CID162680417
Molecular FormulaC24H37BrClN3O3Si
Molecular Weight559.02 g/mol
Exact Mass557.15
IUPAC Nameethyl 7-bromo-4-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-2-yl]amino]-2-chloro-1,5-naphthyridine-3-carboxylate
SMILESCCCC[C@](C)(CO[Si](C)(C)C(C)(C)C)Nc1c(C(=O)OCC)c(Cl)nc2cc(Br)cnc12
InChIInChI=1S/C24H37BrClN3O3Si/c1-9-11-12-24(6,15-32-33(7,8)23(3,4)5)29-20-18(22(30)31-10-2)21(26)28-17-13-16(25)14-27-19(17)20/h13-14H,9-12,15H2,1-8H3,(H,28,29)/t24-/m1/s1
InChIKeyYHPYYXLCRNIUTO-XMMPIXPASA-N
XLogP7.61
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.02
LogP ≤ 57.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze ethyl 7-bromo-4-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-2-yl]amino]-2-chloro-1,5-naphthyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

4-[[1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-2-yl]amino]-2-chloro-1,5-naphthyridine-3-carboxylic acid
CID 175339496
4-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-2-yl]amino]-2-[(2,4-dimethoxyphenyl)methylamino]-1,5-naphthyridine-3-carboxylic acid
CID 162680472
ethyl 5-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropylamino]-6-chloropyridine-3-carboxylate
CID 87184157
ethyl 2-chloro-4-(1-hydroxypentan-2-ylamino)-1,5-naphthyridine-3-carboxylate
CID 175573187
ethyl 5-bromo-2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 91759073
[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-morpholin-4-ylmethanone
CID 166010273
7-bromo-4-ethyl-2-methyl-1,5-naphthyridine-3-carboxylic acid
CID 172730181
ethyl 5-bromo-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 91759072
N-[(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide
CID 134319204
4-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-2-yl]-2-N-[(2,4-dimethoxyphenyl)methyl]pyrimido[5,4-d]pyrimidine-2,4-diamine
CID 175885835
ethyl 2,5-dibromopyridine-3-carboxylate
CID 46311328
2-[(2-amino-7-fluoropyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol
CID 122585081

Frequently Asked Questions

What is the IUPAC name of ethyl 7-bromo-4-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-2-yl]amino]-2-chloro-1,5-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-bromo-4-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-2-yl]amino]-2-chloro-1,5-naphthyridine-3-carboxylate (CID 162680417) is ethyl 7-bromo-4-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-2-yl]amino]-2-chloro-1,5-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-bromo-4-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-2-yl]amino]-2-chloro-1,5-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-bromo-4-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-2-yl]amino]-2-chloro-1,5-naphthyridine-3-carboxylate is CCCC[C@](C)(CO[Si](C)(C)C(C)(C)C)Nc1c(C(=O)OCC)c(Cl)nc2cc(Br)cnc12.
What is the InChIKey of ethyl 7-bromo-4-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-2-yl]amino]-2-chloro-1,5-naphthyridine-3-carboxylate?
The InChIKey is YHPYYXLCRNIUTO-XMMPIXPASA-N. The full InChI is InChI=1S/C24H37BrClN3O3Si/c1-9-11-12-24(6,15-32-33(7,8)23(3,4)5)29-20-18(22(30)31-10-2)21(26)28-17-13-16(25)14-27-19(17)20/h13-14H,9-12,15H2,1-8H3,(H,28,29)/t24-/m1/s1.
What are the key properties of ethyl 7-bromo-4-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-2-yl]amino]-2-chloro-1,5-naphthyridine-3-carboxylate?
ethyl 7-bromo-4-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-2-yl]amino]-2-chloro-1,5-naphthyridine-3-carboxylate has a molecular weight of 559.02 g/mol, XLogP of 7.61, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-bromo-4-[[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-2-yl]amino]-2-chloro-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 162680417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).