ethyl 5-[1-(oxan-4-ylmethyl)-2-oxo-3H-pyrrolo[3,2-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate

C23H24N4O4 — CID 58216976

IUPACethyl 5-[1-(oxan-4-ylmethyl)-2-oxo-3H-pyrrolo[3,2-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2ncc(-c3cnc4c(c3)N(CC3CCOCC3)C(=O)C4)cc12
InChIInChI=1S/C23H24N4O4/c1-2-31-23(29)18-12-26-22-17(18)7-15(11-25-22)16-8-20-19(24-10-16)9-21(28)27(20)13-14-3-5-30-6-4-14/h7-8,10-12,14H,2-6,9,13H2,1H3,(H,25,26)
InChIKeyOEXMQAMRBQKNEC-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.12
Rot. Bonds5

About ethyl 5-[1-(oxan-4-ylmethyl)-2-oxo-3H-pyrrolo[3,2-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate

ethyl 5-[1-(oxan-4-ylmethyl)-2-oxo-3H-pyrrolo[3,2-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate (PubChem CID 58216976) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is ethyl 5-[1-(oxan-4-ylmethyl)-2-oxo-3H-pyrrolo[3,2-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[1-(oxan-4-ylmethyl)-2-oxo-3H-pyrrolo[3,2-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
PubChem CID58216976
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Nameethyl 5-[1-(oxan-4-ylmethyl)-2-oxo-3H-pyrrolo[3,2-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2ncc(-c3cnc4c(c3)N(CC3CCOCC3)C(=O)C4)cc12
InChIInChI=1S/C23H24N4O4/c1-2-31-23(29)18-12-26-22-17(18)7-15(11-25-22)16-8-20-19(24-10-16)9-21(28)27(20)13-14-3-5-30-6-4-14/h7-8,10-12,14H,2-6,9,13H2,1H3,(H,25,26)
InChIKeyOEXMQAMRBQKNEC-UHFFFAOYSA-N
XLogP3.12
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[1-(oxan-4-ylmethyl)-2-oxo-3H-pyrrolo[3,2-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-(5-acrylamido-2-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
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ethyl 4-[4-methyl-3-(prop-2-enoylamino)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 71599594
Jak3-IN-6
CID 89629876
2-(2-aminopyrimidin-4-yl)-7-[2-(benzyloxy)ethyl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 25190894
methyl 3-[[4-(aminomethyl)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]benzoate
CID 122189152
prop-2-ynyl 3-[[4-[(dimethylamino)methyl]-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]benzoate
CID 122189162
methyl 3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzoate
CID 54767418
methyl 5-[[2-methyl-5-[(5-methylpyridine-3-carbonyl)amino]phenyl]methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 76903275
ethyl 4-[4-fluoro-3-(2-fluoroprop-2-enoylamino)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 71571570
ethyl 4-[3-[(3-oxocyclopentene-1-carbonyl)amino]phenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 71599327
ethyl 4-[3-fluoro-5-(2-methylprop-2-enoylamino)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 71599329

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[1-(oxan-4-ylmethyl)-2-oxo-3H-pyrrolo[3,2-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[1-(oxan-4-ylmethyl)-2-oxo-3H-pyrrolo[3,2-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate (CID 58216976) is ethyl 5-[1-(oxan-4-ylmethyl)-2-oxo-3H-pyrrolo[3,2-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[1-(oxan-4-ylmethyl)-2-oxo-3H-pyrrolo[3,2-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[1-(oxan-4-ylmethyl)-2-oxo-3H-pyrrolo[3,2-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate is CCOC(=O)c1c[nH]c2ncc(-c3cnc4c(c3)N(CC3CCOCC3)C(=O)C4)cc12.
What is the InChIKey of ethyl 5-[1-(oxan-4-ylmethyl)-2-oxo-3H-pyrrolo[3,2-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate?
The InChIKey is OEXMQAMRBQKNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-2-31-23(29)18-12-26-22-17(18)7-15(11-25-22)16-8-20-19(24-10-16)9-21(28)27(20)13-14-3-5-30-6-4-14/h7-8,10-12,14H,2-6,9,13H2,1H3,(H,25,26).
What are the key properties of ethyl 5-[1-(oxan-4-ylmethyl)-2-oxo-3H-pyrrolo[3,2-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate?
ethyl 5-[1-(oxan-4-ylmethyl)-2-oxo-3H-pyrrolo[3,2-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate has a molecular weight of 420.47 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[1-(oxan-4-ylmethyl)-2-oxo-3H-pyrrolo[3,2-b]pyridin-6-yl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 58216976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).