2,3-dihydroxypropyl 5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate

C25H23N3O7 — CID 51001628

IUPAC2,3-dihydroxypropyl 5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate
SMILESCc1ccoc1C(=O)Nc1cccc(Oc2ccnc(-c3cc(C(=O)OCC(O)CO)c[nH]3)c2)c1
InChIInChI=1S/C25H23N3O7/c1-15-6-8-33-23(15)24(31)28-17-3-2-4-19(10-17)35-20-5-7-26-22(11-20)21-9-16(12-27-21)25(32)34-14-18(30)13-29/h2-12,18,27,29-30H,13-14H2,1H3,(H,28,31)
InChIKeyHAFZJKPULUETJM-UHFFFAOYSA-N
MW477.47 g/mol
LogP3.53
Rot. Bonds9

About 2,3-dihydroxypropyl 5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate

2,3-dihydroxypropyl 5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate (PubChem CID 51001628) has the molecular formula C25H23N3O7 and a molecular weight of 477.47 g/mol. Its IUPAC name is 2,3-dihydroxypropyl 5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Name2,3-dihydroxypropyl 5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate
PubChem CID51001628
Molecular FormulaC25H23N3O7
Molecular Weight477.47 g/mol
Exact Mass477.15
IUPAC Name2,3-dihydroxypropyl 5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate
SMILESCc1ccoc1C(=O)Nc1cccc(Oc2ccnc(-c3cc(C(=O)OCC(O)CO)c[nH]3)c2)c1
InChIInChI=1S/C25H23N3O7/c1-15-6-8-33-23(15)24(31)28-17-3-2-4-19(10-17)35-20-5-7-26-22(11-20)21-9-16(12-27-21)25(32)34-14-18(30)13-29/h2-12,18,27,29-30H,13-14H2,1H3,(H,28,31)
InChIKeyHAFZJKPULUETJM-UHFFFAOYSA-N
XLogP3.53
TPSA146.91 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.47
LogP ≤ 53.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2,3-dihydroxypropyl 5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl 5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate?
The IUPAC name of 2,3-dihydroxypropyl 5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate (CID 51001628) is 2,3-dihydroxypropyl 5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for 2,3-dihydroxypropyl 5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for 2,3-dihydroxypropyl 5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate is Cc1ccoc1C(=O)Nc1cccc(Oc2ccnc(-c3cc(C(=O)OCC(O)CO)c[nH]3)c2)c1.
What is the InChIKey of 2,3-dihydroxypropyl 5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate?
The InChIKey is HAFZJKPULUETJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O7/c1-15-6-8-33-23(15)24(31)28-17-3-2-4-19(10-17)35-20-5-7-26-22(11-20)21-9-16(12-27-21)25(32)34-14-18(30)13-29/h2-12,18,27,29-30H,13-14H2,1H3,(H,28,31).
What are the key properties of 2,3-dihydroxypropyl 5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate?
2,3-dihydroxypropyl 5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate has a molecular weight of 477.47 g/mol, XLogP of 3.53, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl 5-[4-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 51001628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).