7-amino-6-[2-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-oxoethyl]-3-ethoxy-N-methylpyrrolo[3,4-b]pyridine-2-carboxamide

C28H37N5O5 — CID 91469781

IUPAC7-amino-6-[2-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-oxoethyl]-3-ethoxy-N-methylpyrrolo[3,4-b]pyridine-2-carboxamide
SMILESCCOc1cc2cn(CC(=O)c3cc(N4CCOCC4)c(OC)c(C(C)(C)C)c3)c(N)c2nc1C(=O)NC
InChIInChI=1S/C28H37N5O5/c1-7-38-22-14-18-15-33(26(29)23(18)31-24(22)27(35)30-5)16-21(34)17-12-19(28(2,3)4)25(36-6)20(13-17)32-8-10-37-11-9-32/h12-15H,7-11,16,29H2,1-6H3,(H,30,35)
InChIKeyKCHRRLZWUVDXKP-UHFFFAOYSA-N
MW523.63 g/mol
LogP3.40
Rot. Bonds8

About 7-amino-6-[2-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-oxoethyl]-3-ethoxy-N-methylpyrrolo[3,4-b]pyridine-2-carboxamide

7-amino-6-[2-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-oxoethyl]-3-ethoxy-N-methylpyrrolo[3,4-b]pyridine-2-carboxamide (PubChem CID 91469781) has the molecular formula C28H37N5O5 and a molecular weight of 523.63 g/mol. Its IUPAC name is 7-amino-6-[2-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-oxoethyl]-3-ethoxy-N-methylpyrrolo[3,4-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-amino-6-[2-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-oxoethyl]-3-ethoxy-N-methylpyrrolo[3,4-b]pyridine-2-carboxamide
PubChem CID91469781
Molecular FormulaC28H37N5O5
Molecular Weight523.63 g/mol
Exact Mass523.28
IUPAC Name7-amino-6-[2-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-oxoethyl]-3-ethoxy-N-methylpyrrolo[3,4-b]pyridine-2-carboxamide
SMILESCCOc1cc2cn(CC(=O)c3cc(N4CCOCC4)c(OC)c(C(C)(C)C)c3)c(N)c2nc1C(=O)NC
InChIInChI=1S/C28H37N5O5/c1-7-38-22-14-18-15-33(26(29)23(18)31-24(22)27(35)30-5)16-21(34)17-12-19(28(2,3)4)25(36-6)20(13-17)32-8-10-37-11-9-32/h12-15H,7-11,16,29H2,1-6H3,(H,30,35)
InChIKeyKCHRRLZWUVDXKP-UHFFFAOYSA-N
XLogP3.40
TPSA120.94 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.63
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 7-amino-6-[2-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-oxoethyl]-3-ethoxy-N-methylpyrrolo[3,4-b]pyridine-2-carboxamide with MolForge

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Related Compounds

3-amino-1-[2-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-oxoethyl]-7-ethoxy-N-methyl-[1,2,4]triazolo[4,3-a]pyridin-4-ium-6-carboxamide;2,2,2-trifluoroacetate
CID 87209945
2-(1-amino-5-ethoxy-7-fluoro-6-methoxyisoindol-2-yl)-1-[3-tert-butyl-5-(4-hydroxypiperidin-1-yl)-4-methoxyphenyl]ethanone
CID 91156226
1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-(6,7-diethoxy-1-iminoisoquinolin-2-yl)ethanone
CID 66550253
2-[4-[5-[2-(1-amino-5,6-diethoxy-7-fluoroisoindol-2-yl)acetyl]-3-tert-butyl-2-methoxyphenyl]piperazin-1-yl]acetic acid
CID 90760653
2-(15-amino-2,11-dioxa-6,16-diazatetracyclo[10.7.0.04,9.014,18]nonadeca-1(19),4(9),5,7,12,14,17-heptaen-16-yl)-1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)ethanone
CID 123520239
6-[2-[3-tert-butyl-4-methoxy-5-(4-oxopiperidin-1-yl)phenyl]-2-oxoethyl]-3-ethoxy-7-imino-N-methyl-5H-pyrrolo[3,4-b]pyridine-2-carboxamide
CID 67139235
2-[2-[2-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-oxoethyl]-6-ethoxy-3-imino-1H-isoindol-5-yl]-N-methylacetamide
CID 67138274
6-[2-[3-tert-butyl-5-(4-cyanopiperidin-1-yl)-4-methoxyphenyl]-2-oxoethyl]-3-ethoxy-7-imino-N-methyl-5H-pyrrolo[3,4-b]pyridine-2-carboxamide
CID 67138174
1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-(5,6-diethoxy-3-imino-1,2-benzoxazol-2-yl)ethanone
CID 66550032
1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]ethanone
CID 90466367
1-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-[5-(2-chloro-3,4-diethoxyphenyl)tetrazol-2-yl]ethanone
CID 90466211
6-[2-[3-tert-butyl-4-methoxy-5-(2-oxopiperidin-1-yl)phenyl]-2-oxoethyl]-3-ethoxy-7-imino-N-methyl-5H-pyrrolo[3,4-b]pyridine-2-carboxamide
CID 67139838

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-[2-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-oxoethyl]-3-ethoxy-N-methylpyrrolo[3,4-b]pyridine-2-carboxamide?
The IUPAC name of 7-amino-6-[2-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-oxoethyl]-3-ethoxy-N-methylpyrrolo[3,4-b]pyridine-2-carboxamide (CID 91469781) is 7-amino-6-[2-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-oxoethyl]-3-ethoxy-N-methylpyrrolo[3,4-b]pyridine-2-carboxamide.
What is the SMILES notation for 7-amino-6-[2-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-oxoethyl]-3-ethoxy-N-methylpyrrolo[3,4-b]pyridine-2-carboxamide?
The canonical SMILES for 7-amino-6-[2-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-oxoethyl]-3-ethoxy-N-methylpyrrolo[3,4-b]pyridine-2-carboxamide is CCOc1cc2cn(CC(=O)c3cc(N4CCOCC4)c(OC)c(C(C)(C)C)c3)c(N)c2nc1C(=O)NC.
What is the InChIKey of 7-amino-6-[2-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-oxoethyl]-3-ethoxy-N-methylpyrrolo[3,4-b]pyridine-2-carboxamide?
The InChIKey is KCHRRLZWUVDXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O5/c1-7-38-22-14-18-15-33(26(29)23(18)31-24(22)27(35)30-5)16-21(34)17-12-19(28(2,3)4)25(36-6)20(13-17)32-8-10-37-11-9-32/h12-15H,7-11,16,29H2,1-6H3,(H,30,35).
What are the key properties of 7-amino-6-[2-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-oxoethyl]-3-ethoxy-N-methylpyrrolo[3,4-b]pyridine-2-carboxamide?
7-amino-6-[2-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-oxoethyl]-3-ethoxy-N-methylpyrrolo[3,4-b]pyridine-2-carboxamide has a molecular weight of 523.63 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-[2-(3-tert-butyl-4-methoxy-5-morpholin-4-ylphenyl)-2-oxoethyl]-3-ethoxy-N-methylpyrrolo[3,4-b]pyridine-2-carboxamide is sourced from PubChem (CID 91469781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).