3-[1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyrrole-2,5-dione

C37H39N5O3Si — CID 58719728

IUPAC3-[1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyrrole-2,5-dione
SMILESCC(C)(C)[Si](OCCCn1cc(C2=C(c3cc4n(n3)CCCC4)C(=O)NC2=O)c2cccnc21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H39N5O3Si/c1-37(2,3)46(27-15-6-4-7-16-27,28-17-8-5-9-18-28)45-23-13-21-41-25-30(29-19-12-20-38-34(29)41)32-33(36(44)39-35(32)43)31-24-26-14-10-11-22-42(26)40-31/h4-9,12,15-20,24-25H,10-11,13-14,21-23H2,1-3H3,(H,39,43,44)
InChIKeyQYXLXZKNRARVLA-UHFFFAOYSA-N
MW629.84 g/mol
LogP5.10
Rot. Bonds9

About 3-[1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyrrole-2,5-dione

3-[1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyrrole-2,5-dione (PubChem CID 58719728) has the molecular formula C37H39N5O3Si and a molecular weight of 629.84 g/mol. Its IUPAC name is 3-[1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyrrole-2,5-dione
PubChem CID58719728
Molecular FormulaC37H39N5O3Si
Molecular Weight629.84 g/mol
Exact Mass629.28
IUPAC Name3-[1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyrrole-2,5-dione
SMILESCC(C)(C)[Si](OCCCn1cc(C2=C(c3cc4n(n3)CCCC4)C(=O)NC2=O)c2cccnc21)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H39N5O3Si/c1-37(2,3)46(27-15-6-4-7-16-27,28-17-8-5-9-18-28)45-23-13-21-41-25-30(29-19-12-20-38-34(29)41)32-33(36(44)39-35(32)43)31-24-26-14-10-11-22-42(26)40-31/h4-9,12,15-20,24-25H,10-11,13-14,21-23H2,1-3H3,(H,39,43,44)
InChIKeyQYXLXZKNRARVLA-UHFFFAOYSA-N
XLogP5.10
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.84
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyrrole-2,5-dione 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 3-[1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyrrole-2,5-dione (CID 58719728) is 3-[1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyrrole-2,5-dione is CC(C)(C)[Si](OCCCn1cc(C2=C(c3cc4n(n3)CCCC4)C(=O)NC2=O)c2cccnc21)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyrrole-2,5-dione?
The InChIKey is QYXLXZKNRARVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39N5O3Si/c1-37(2,3)46(27-15-6-4-7-16-27,28-17-8-5-9-18-28)45-23-13-21-41-25-30(29-19-12-20-38-34(29)41)32-33(36(44)39-35(32)43)31-24-26-14-10-11-22-42(26)40-31/h4-9,12,15-20,24-25H,10-11,13-14,21-23H2,1-3H3,(H,39,43,44).
What are the key properties of 3-[1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyrrole-2,5-dione?
3-[1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyrrole-2,5-dione has a molecular weight of 629.84 g/mol, XLogP of 5.10, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-[tert-butyl(diphenyl)silyl]oxypropyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)pyrrole-2,5-dione is sourced from PubChem (CID 58719728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).