ethyl N-[2-[ethoxy(hydroxy)methyl]-5-(1-methylpyrazol-4-yl)furo[2,3-b]pyridin-3-yl]-N-(3-methoxypropyl)carbamate

C21H28N4O6 — CID 91073586

IUPACethyl N-[2-[ethoxy(hydroxy)methyl]-5-(1-methylpyrazol-4-yl)furo[2,3-b]pyridin-3-yl]-N-(3-methoxypropyl)carbamate
SMILESCCOC(=O)N(CCCOC)c1c(C(O)OCC)oc2ncc(-c3cnn(C)c3)cc12
InChIInChI=1S/C21H28N4O6/c1-5-29-20(26)18-17(25(8-7-9-28-4)21(27)30-6-2)16-10-14(11-22-19(16)31-18)15-12-23-24(3)13-15/h10-13,20,26H,5-9H2,1-4H3
InChIKeyJCHNQYRRMGNEKY-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.26
Rot. Bonds10

About ethyl N-[2-[ethoxy(hydroxy)methyl]-5-(1-methylpyrazol-4-yl)furo[2,3-b]pyridin-3-yl]-N-(3-methoxypropyl)carbamate

ethyl N-[2-[ethoxy(hydroxy)methyl]-5-(1-methylpyrazol-4-yl)furo[2,3-b]pyridin-3-yl]-N-(3-methoxypropyl)carbamate (PubChem CID 91073586) has the molecular formula C21H28N4O6 and a molecular weight of 432.48 g/mol. Its IUPAC name is ethyl N-[2-[ethoxy(hydroxy)methyl]-5-(1-methylpyrazol-4-yl)furo[2,3-b]pyridin-3-yl]-N-(3-methoxypropyl)carbamate.

Molecular Properties

Compound Nameethyl N-[2-[ethoxy(hydroxy)methyl]-5-(1-methylpyrazol-4-yl)furo[2,3-b]pyridin-3-yl]-N-(3-methoxypropyl)carbamate
PubChem CID91073586
Molecular FormulaC21H28N4O6
Molecular Weight432.48 g/mol
Exact Mass432.20
IUPAC Nameethyl N-[2-[ethoxy(hydroxy)methyl]-5-(1-methylpyrazol-4-yl)furo[2,3-b]pyridin-3-yl]-N-(3-methoxypropyl)carbamate
SMILESCCOC(=O)N(CCCOC)c1c(C(O)OCC)oc2ncc(-c3cnn(C)c3)cc12
InChIInChI=1S/C21H28N4O6/c1-5-29-20(26)18-17(25(8-7-9-28-4)21(27)30-6-2)16-10-14(11-22-19(16)31-18)15-12-23-24(3)13-15/h10-13,20,26H,5-9H2,1-4H3
InChIKeyJCHNQYRRMGNEKY-UHFFFAOYSA-N
XLogP3.26
TPSA112.08 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[ethoxy(hydroxy)methyl]-5-(1-methylpyrazol-4-yl)furo[2,3-b]pyridin-3-yl]-N-(3-methoxypropyl)carbamate?
The IUPAC name of ethyl N-[2-[ethoxy(hydroxy)methyl]-5-(1-methylpyrazol-4-yl)furo[2,3-b]pyridin-3-yl]-N-(3-methoxypropyl)carbamate (CID 91073586) is ethyl N-[2-[ethoxy(hydroxy)methyl]-5-(1-methylpyrazol-4-yl)furo[2,3-b]pyridin-3-yl]-N-(3-methoxypropyl)carbamate.
What is the SMILES notation for ethyl N-[2-[ethoxy(hydroxy)methyl]-5-(1-methylpyrazol-4-yl)furo[2,3-b]pyridin-3-yl]-N-(3-methoxypropyl)carbamate?
The canonical SMILES for ethyl N-[2-[ethoxy(hydroxy)methyl]-5-(1-methylpyrazol-4-yl)furo[2,3-b]pyridin-3-yl]-N-(3-methoxypropyl)carbamate is CCOC(=O)N(CCCOC)c1c(C(O)OCC)oc2ncc(-c3cnn(C)c3)cc12.
What is the InChIKey of ethyl N-[2-[ethoxy(hydroxy)methyl]-5-(1-methylpyrazol-4-yl)furo[2,3-b]pyridin-3-yl]-N-(3-methoxypropyl)carbamate?
The InChIKey is JCHNQYRRMGNEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O6/c1-5-29-20(26)18-17(25(8-7-9-28-4)21(27)30-6-2)16-10-14(11-22-19(16)31-18)15-12-23-24(3)13-15/h10-13,20,26H,5-9H2,1-4H3.
What are the key properties of ethyl N-[2-[ethoxy(hydroxy)methyl]-5-(1-methylpyrazol-4-yl)furo[2,3-b]pyridin-3-yl]-N-(3-methoxypropyl)carbamate?
ethyl N-[2-[ethoxy(hydroxy)methyl]-5-(1-methylpyrazol-4-yl)furo[2,3-b]pyridin-3-yl]-N-(3-methoxypropyl)carbamate has a molecular weight of 432.48 g/mol, XLogP of 3.26, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[ethoxy(hydroxy)methyl]-5-(1-methylpyrazol-4-yl)furo[2,3-b]pyridin-3-yl]-N-(3-methoxypropyl)carbamate is sourced from PubChem (CID 91073586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).