2,5-diethyl-4-methyl-3-[5-[[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]carbamoyl]furan-2-yl]oxybenzamide

C26H30N6O4 — CID 87973357

IUPAC2,5-diethyl-4-methyl-3-[5-[[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]carbamoyl]furan-2-yl]oxybenzamide
SMILESCCc1cc(C(N)=O)c(CC)c(Oc2ccc(C(=O)NNc3cc(C)c4c(C)nn(C)c4n3)o2)c1C
InChIInChI=1S/C26H30N6O4/c1-7-16-12-18(24(27)33)17(8-2)23(14(16)4)36-21-10-9-19(35-21)26(34)30-29-20-11-13(3)22-15(5)31-32(6)25(22)28-20/h9-12H,7-8H2,1-6H3,(H2,27,33)(H,28,29)(H,30,34)
InChIKeyUAMQBBPXKJNXRT-UHFFFAOYSA-N
MW490.56 g/mol
LogP4.26
Rot. Bonds8

About 2,5-diethyl-4-methyl-3-[5-[[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]carbamoyl]furan-2-yl]oxybenzamide

2,5-diethyl-4-methyl-3-[5-[[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]carbamoyl]furan-2-yl]oxybenzamide (PubChem CID 87973357) has the molecular formula C26H30N6O4 and a molecular weight of 490.56 g/mol. Its IUPAC name is 2,5-diethyl-4-methyl-3-[5-[[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]carbamoyl]furan-2-yl]oxybenzamide.

Molecular Properties

Compound Name2,5-diethyl-4-methyl-3-[5-[[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]carbamoyl]furan-2-yl]oxybenzamide
PubChem CID87973357
Molecular FormulaC26H30N6O4
Molecular Weight490.56 g/mol
Exact Mass490.23
IUPAC Name2,5-diethyl-4-methyl-3-[5-[[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]carbamoyl]furan-2-yl]oxybenzamide
SMILESCCc1cc(C(N)=O)c(CC)c(Oc2ccc(C(=O)NNc3cc(C)c4c(C)nn(C)c4n3)o2)c1C
InChIInChI=1S/C26H30N6O4/c1-7-16-12-18(24(27)33)17(8-2)23(14(16)4)36-21-10-9-19(35-21)26(34)30-29-20-11-13(3)22-15(5)31-32(6)25(22)28-20/h9-12H,7-8H2,1-6H3,(H2,27,33)(H,28,29)(H,30,34)
InChIKeyUAMQBBPXKJNXRT-UHFFFAOYSA-N
XLogP4.26
TPSA137.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-4-methyl-3-[5-[[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]carbamoyl]furan-2-yl]oxybenzamide?
The IUPAC name of 2,5-diethyl-4-methyl-3-[5-[[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]carbamoyl]furan-2-yl]oxybenzamide (CID 87973357) is 2,5-diethyl-4-methyl-3-[5-[[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]carbamoyl]furan-2-yl]oxybenzamide.
What is the SMILES notation for 2,5-diethyl-4-methyl-3-[5-[[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]carbamoyl]furan-2-yl]oxybenzamide?
The canonical SMILES for 2,5-diethyl-4-methyl-3-[5-[[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]carbamoyl]furan-2-yl]oxybenzamide is CCc1cc(C(N)=O)c(CC)c(Oc2ccc(C(=O)NNc3cc(C)c4c(C)nn(C)c4n3)o2)c1C.
What is the InChIKey of 2,5-diethyl-4-methyl-3-[5-[[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]carbamoyl]furan-2-yl]oxybenzamide?
The InChIKey is UAMQBBPXKJNXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4/c1-7-16-12-18(24(27)33)17(8-2)23(14(16)4)36-21-10-9-19(35-21)26(34)30-29-20-11-13(3)22-15(5)31-32(6)25(22)28-20/h9-12H,7-8H2,1-6H3,(H2,27,33)(H,28,29)(H,30,34).
What are the key properties of 2,5-diethyl-4-methyl-3-[5-[[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]carbamoyl]furan-2-yl]oxybenzamide?
2,5-diethyl-4-methyl-3-[5-[[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]carbamoyl]furan-2-yl]oxybenzamide has a molecular weight of 490.56 g/mol, XLogP of 4.26, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-4-methyl-3-[5-[[(1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-yl)amino]carbamoyl]furan-2-yl]oxybenzamide is sourced from PubChem (CID 87973357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).