tert-butyl 2-[4-[2-amino-3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pyrazol-1-yl]acetate

C31H34N6O5 — CID 167435753

IUPACtert-butyl 2-[4-[2-amino-3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pyrazol-1-yl]acetate
SMILESCOc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5cnn(CC(=O)OC(C)(C)C)c5)cnc43)cc2OC)cc1
InChIInChI=1S/C31H34N6O5/c1-31(2,3)42-28(38)18-36-17-23(15-34-36)22-13-25-29(33-14-22)37(30(32)35-25)16-21-8-11-26(27(12-21)40-5)41-19-20-6-9-24(39-4)10-7-20/h6-15,17H,16,18-19H2,1-5H3,(H2,32,35)
InChIKeyXKPDHQIIUGYCDF-UHFFFAOYSA-N
MW570.65 g/mol
LogP4.86
Rot. Bonds10

About tert-butyl 2-[4-[2-amino-3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pyrazol-1-yl]acetate

tert-butyl 2-[4-[2-amino-3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pyrazol-1-yl]acetate (PubChem CID 167435753) has the molecular formula C31H34N6O5 and a molecular weight of 570.65 g/mol. Its IUPAC name is tert-butyl 2-[4-[2-amino-3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pyrazol-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[4-[2-amino-3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pyrazol-1-yl]acetate
PubChem CID167435753
Molecular FormulaC31H34N6O5
Molecular Weight570.65 g/mol
Exact Mass570.26
IUPAC Nametert-butyl 2-[4-[2-amino-3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pyrazol-1-yl]acetate
SMILESCOc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5cnn(CC(=O)OC(C)(C)C)c5)cnc43)cc2OC)cc1
InChIInChI=1S/C31H34N6O5/c1-31(2,3)42-28(38)18-36-17-23(15-34-36)22-13-25-29(33-14-22)37(30(32)35-25)16-21-8-11-26(27(12-21)40-5)41-19-20-6-9-24(39-4)10-7-20/h6-15,17H,16,18-19H2,1-5H3,(H2,32,35)
InChIKeyXKPDHQIIUGYCDF-UHFFFAOYSA-N
XLogP4.86
TPSA128.54 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.65
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze tert-butyl 2-[4-[2-amino-3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pyrazol-1-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

3-[[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]phenyl]methyl]-6-phenylimidazo[4,5-b]pyridin-2-amine
CID 118009817
(4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 61285978
6-(6-dimethylphosphoryl-3-pyridinyl)-3-[[3-ethyl-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 130310937
1-[[4-[[4-(difluoromethoxy)phenyl]methoxy]-3-methoxyphenyl]methyl]benzimidazol-2-amine
CID 177372632
3-[1-[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 118009843
tert-butyl 6-methoxy-2,3-bis[(4-methoxyphenyl)methoxy]benzoate
CID 90090423
methyl 2-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]acetate
CID 134307216
3-[(1S)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(2-methyl-1,5-dihydropyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine;3-[(1R)-1-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 157272389
3-[[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-c]pyridin-2-amine
CID 156579641
1-[[3-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]methyl]benzimidazol-2-amine
CID 177372638
tert-butyl 2-[3-acetyl-5-bromo-6-[(4-methoxyphenyl)methoxy]indol-1-yl]acetate
CID 140882311
4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]aniline
CID 63328527

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-[2-amino-3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pyrazol-1-yl]acetate?
The IUPAC name of tert-butyl 2-[4-[2-amino-3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pyrazol-1-yl]acetate (CID 167435753) is tert-butyl 2-[4-[2-amino-3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pyrazol-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[4-[2-amino-3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pyrazol-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[4-[2-amino-3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pyrazol-1-yl]acetate is COc1ccc(COc2ccc(Cn3c(N)nc4cc(-c5cnn(CC(=O)OC(C)(C)C)c5)cnc43)cc2OC)cc1.
What is the InChIKey of tert-butyl 2-[4-[2-amino-3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pyrazol-1-yl]acetate?
The InChIKey is XKPDHQIIUGYCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N6O5/c1-31(2,3)42-28(38)18-36-17-23(15-34-36)22-13-25-29(33-14-22)37(30(32)35-25)16-21-8-11-26(27(12-21)40-5)41-19-20-6-9-24(39-4)10-7-20/h6-15,17H,16,18-19H2,1-5H3,(H2,32,35).
What are the key properties of tert-butyl 2-[4-[2-amino-3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pyrazol-1-yl]acetate?
tert-butyl 2-[4-[2-amino-3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pyrazol-1-yl]acetate has a molecular weight of 570.65 g/mol, XLogP of 4.86, 10 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-[2-amino-3-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]imidazo[4,5-b]pyridin-6-yl]pyrazol-1-yl]acetate is sourced from PubChem (CID 167435753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).