methyl 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolo[2,3-b]pyridine-3-carboxylate

C26H34N4O5 — CID 172558689

IUPACmethyl 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolo[2,3-b]pyridine-3-carboxylate
SMILESCOC(=O)c1c(N)n(-c2c(C)ccc(OC)c2C)c2ncc(C)c(CCNC(=O)OC(C)(C)C)c12
InChIInChI=1S/C26H34N4O5/c1-14-9-10-18(33-7)16(3)21(14)30-22(27)20(24(31)34-8)19-17(15(2)13-29-23(19)30)11-12-28-25(32)35-26(4,5)6/h9-10,13H,11-12,27H2,1-8H3,(H,28,32)
InChIKeyAJDAZMFPFNVNQO-UHFFFAOYSA-N
MW482.58 g/mol
LogP4.40
Rot. Bonds6

About methyl 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolo[2,3-b]pyridine-3-carboxylate

methyl 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolo[2,3-b]pyridine-3-carboxylate (PubChem CID 172558689) has the molecular formula C26H34N4O5 and a molecular weight of 482.58 g/mol. Its IUPAC name is methyl 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolo[2,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolo[2,3-b]pyridine-3-carboxylate
PubChem CID172558689
Molecular FormulaC26H34N4O5
Molecular Weight482.58 g/mol
Exact Mass482.25
IUPAC Namemethyl 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolo[2,3-b]pyridine-3-carboxylate
SMILESCOC(=O)c1c(N)n(-c2c(C)ccc(OC)c2C)c2ncc(C)c(CCNC(=O)OC(C)(C)C)c12
InChIInChI=1S/C26H34N4O5/c1-14-9-10-18(33-7)16(3)21(14)30-22(27)20(24(31)34-8)19-17(15(2)13-29-23(19)30)11-12-28-25(32)35-26(4,5)6/h9-10,13H,11-12,27H2,1-8H3,(H,28,32)
InChIKeyAJDAZMFPFNVNQO-UHFFFAOYSA-N
XLogP4.40
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolo[2,3-b]pyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 6-amino-5-(3-methoxy-2,6-dimethylphenyl)-2,3-dimethylpyrrolo[2,3-b]pyrazine-7-carboxylate
CID 175942107
2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 156869557
2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-(methylcarbamoylamino)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 175548530
tert-butyl N-[8-bromo-10-carbamoyl-12-(3-methoxy-2,6-dimethylphenyl)-5-methyl-3,5,7,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-11-yl]carbamate
CID 178110888
tert-butyl N-[2-(2,4-dibromo-5-methyl-3-pyridinyl)ethyl]carbamate
CID 177322011
methyl 2-amino-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]thiophene-3-carboxylate
CID 15889784
tert-butyl N-[2-(3,4-dimethoxy-2-methylphenyl)ethyl]carbamate
CID 142979716
tert-butyl N-[2-(4-amino-3-methoxyphenyl)ethyl]carbamate
CID 22981165
tert-butyl N-[2-(6-methoxy-4-methyl-1-benzofuran-5-yl)ethyl]carbamate
CID 142472796
4-amino-3-(3-methoxy-2,6-dimethylphenyl)-7,10-dimethyl-3,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-5-carboxamide
CID 178111158
tert-butyl N-[2-(6-amino-3-pyridinyl)ethyl]carbamate
CID 86238106
tert-butyl N-[2-(3-formyl-4-methoxyphenyl)ethyl]carbamate
CID 175662154

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolo[2,3-b]pyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolo[2,3-b]pyridine-3-carboxylate (CID 172558689) is methyl 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolo[2,3-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolo[2,3-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolo[2,3-b]pyridine-3-carboxylate is COC(=O)c1c(N)n(-c2c(C)ccc(OC)c2C)c2ncc(C)c(CCNC(=O)OC(C)(C)C)c12.
What is the InChIKey of methyl 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolo[2,3-b]pyridine-3-carboxylate?
The InChIKey is AJDAZMFPFNVNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O5/c1-14-9-10-18(33-7)16(3)21(14)30-22(27)20(24(31)34-8)19-17(15(2)13-29-23(19)30)11-12-28-25(32)35-26(4,5)6/h9-10,13H,11-12,27H2,1-8H3,(H,28,32).
What are the key properties of methyl 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolo[2,3-b]pyridine-3-carboxylate?
methyl 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolo[2,3-b]pyridine-3-carboxylate has a molecular weight of 482.58 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-1-(3-methoxy-2,6-dimethylphenyl)-5-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolo[2,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 172558689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).