1-O-tert-butyl 6-O-methyl 3-hydroxy-4-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)-2,3-dihydropyrazine-1,6-dicarboxylate

C19H24N4O6 — CID 102300188

IUPAC1-O-tert-butyl 6-O-methyl 3-hydroxy-4-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)-2,3-dihydropyrazine-1,6-dicarboxylate
SMILESCOC(=O)C1=CN(c2c[nH]c3ccc(OC)nc23)C(O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H24N4O6/c1-19(2,3)29-18(26)23-10-15(24)22(9-13(23)17(25)28-5)12-8-20-11-6-7-14(27-4)21-16(11)12/h6-9,15,20,24H,10H2,1-5H3
InChIKeyYSFZOTXKQKDTSH-UHFFFAOYSA-N
MW404.42 g/mol
LogP1.96
Rot. Bonds3

About 1-O-tert-butyl 6-O-methyl 3-hydroxy-4-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)-2,3-dihydropyrazine-1,6-dicarboxylate

1-O-tert-butyl 6-O-methyl 3-hydroxy-4-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)-2,3-dihydropyrazine-1,6-dicarboxylate (PubChem CID 102300188) has the molecular formula C19H24N4O6 and a molecular weight of 404.42 g/mol. Its IUPAC name is 1-O-tert-butyl 6-O-methyl 3-hydroxy-4-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)-2,3-dihydropyrazine-1,6-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 6-O-methyl 3-hydroxy-4-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)-2,3-dihydropyrazine-1,6-dicarboxylate
PubChem CID102300188
Molecular FormulaC19H24N4O6
Molecular Weight404.42 g/mol
Exact Mass404.17
IUPAC Name1-O-tert-butyl 6-O-methyl 3-hydroxy-4-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)-2,3-dihydropyrazine-1,6-dicarboxylate
SMILESCOC(=O)C1=CN(c2c[nH]c3ccc(OC)nc23)C(O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H24N4O6/c1-19(2,3)29-18(26)23-10-15(24)22(9-13(23)17(25)28-5)12-8-20-11-6-7-14(27-4)21-16(11)12/h6-9,15,20,24H,10H2,1-5H3
InChIKeyYSFZOTXKQKDTSH-UHFFFAOYSA-N
XLogP1.96
TPSA117.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-O-tert-butyl 6-O-methyl 3-hydroxy-4-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)-2,3-dihydropyrazine-1,6-dicarboxylate with MolForge

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Related Compounds

1-O-tert-butyl 6-O-methyl 4-[2-(3,4-dimethoxyphenyl)ethyl]-3-hydroxy-2,3-dihydropyrazine-1,6-dicarboxylate
CID 102300190
methyl 3-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)propanoate
CID 121003127
tert-butyl N-[5-(2-methoxyethoxy)-1H-pyrrolo[3,2-b]pyridin-3-yl]carbamate
CID 156565952
1-O-tert-butyl 6-O-methyl 4-benzyl-3-cyano-2,3-dihydropyrazine-1,6-dicarboxylate
CID 102300194
1-O-tert-butyl 3-O-methyl 6-(6-methoxy-3-methoxycarbonyl-2-pyridinyl)piperidine-1,3-dicarboxylate
CID 69088066
tert-butyl 3-carbamoyl-5-methoxypyrrolo[3,2-b]pyridine-1-carboxylate
CID 144820320
tert-butyl (2R)-2-ethyl-4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperazine-1-carboxylate
CID 91004541
4-O-tert-butyl 3-O-methyl 5,6-dihydroimidazo[1,2-c]triazole-3,4-dicarboxylate
CID 147149978
tert-butyl (3S)-4-(2-bromo-6-methoxycarbonyl-3-pyridinyl)-3-methylpiperazine-1-carboxylate
CID 171393994
tert-butyl 3-[4-(1H-pyrazol-5-yl)anilino]azetidine-1-carboxylate
CID 103645667
tert-butyl 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]piperidine-1-carboxylate
CID 67130835
methyl 2-[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-benzoxazole-4-carboxylate
CID 66873931

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 6-O-methyl 3-hydroxy-4-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)-2,3-dihydropyrazine-1,6-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 6-O-methyl 3-hydroxy-4-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)-2,3-dihydropyrazine-1,6-dicarboxylate (CID 102300188) is 1-O-tert-butyl 6-O-methyl 3-hydroxy-4-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)-2,3-dihydropyrazine-1,6-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 6-O-methyl 3-hydroxy-4-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)-2,3-dihydropyrazine-1,6-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 6-O-methyl 3-hydroxy-4-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)-2,3-dihydropyrazine-1,6-dicarboxylate is COC(=O)C1=CN(c2c[nH]c3ccc(OC)nc23)C(O)CN1C(=O)OC(C)(C)C.
What is the InChIKey of 1-O-tert-butyl 6-O-methyl 3-hydroxy-4-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)-2,3-dihydropyrazine-1,6-dicarboxylate?
The InChIKey is YSFZOTXKQKDTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O6/c1-19(2,3)29-18(26)23-10-15(24)22(9-13(23)17(25)28-5)12-8-20-11-6-7-14(27-4)21-16(11)12/h6-9,15,20,24H,10H2,1-5H3.
What are the key properties of 1-O-tert-butyl 6-O-methyl 3-hydroxy-4-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)-2,3-dihydropyrazine-1,6-dicarboxylate?
1-O-tert-butyl 6-O-methyl 3-hydroxy-4-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)-2,3-dihydropyrazine-1,6-dicarboxylate has a molecular weight of 404.42 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 6-O-methyl 3-hydroxy-4-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)-2,3-dihydropyrazine-1,6-dicarboxylate is sourced from PubChem (CID 102300188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).