2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3,5-dichlorophenyl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide

C21H20Cl2N8O2 — CID 68898817

IUPAC2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3,5-dichlorophenyl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide
SMILESCCn1c(-c2nonc2N)nc2c(-c3cc(Cl)cc(Cl)c3)ncc(C(=O)NC3CCNC3)c21
InChIInChI=1S/C21H20Cl2N8O2/c1-2-31-18-14(21(32)27-13-3-4-25-8-13)9-26-15(10-5-11(22)7-12(23)6-10)16(18)28-20(31)17-19(24)30-33-29-17/h5-7,9,13,25H,2-4,8H2,1H3,(H2,24,30)(H,27,32)
InChIKeyZEGXDYPIEHNSGE-UHFFFAOYSA-N
MW487.35 g/mol
LogP3.15
Rot. Bonds5

About 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3,5-dichlorophenyl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide

2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3,5-dichlorophenyl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide (PubChem CID 68898817) has the molecular formula C21H20Cl2N8O2 and a molecular weight of 487.35 g/mol. Its IUPAC name is 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3,5-dichlorophenyl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3,5-dichlorophenyl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide
PubChem CID68898817
Molecular FormulaC21H20Cl2N8O2
Molecular Weight487.35 g/mol
Exact Mass486.11
IUPAC Name2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3,5-dichlorophenyl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide
SMILESCCn1c(-c2nonc2N)nc2c(-c3cc(Cl)cc(Cl)c3)ncc(C(=O)NC3CCNC3)c21
InChIInChI=1S/C21H20Cl2N8O2/c1-2-31-18-14(21(32)27-13-3-4-25-8-13)9-26-15(10-5-11(22)7-12(23)6-10)16(18)28-20(31)17-19(24)30-33-29-17/h5-7,9,13,25H,2-4,8H2,1H3,(H2,24,30)(H,27,32)
InChIKeyZEGXDYPIEHNSGE-UHFFFAOYSA-N
XLogP3.15
TPSA136.78 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.35
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3,5-dichlorophenyl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3,5-dichlorophenyl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide?
The IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3,5-dichlorophenyl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide (CID 68898817) is 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3,5-dichlorophenyl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide.
What is the SMILES notation for 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3,5-dichlorophenyl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide?
The canonical SMILES for 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3,5-dichlorophenyl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide is CCn1c(-c2nonc2N)nc2c(-c3cc(Cl)cc(Cl)c3)ncc(C(=O)NC3CCNC3)c21.
What is the InChIKey of 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3,5-dichlorophenyl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide?
The InChIKey is ZEGXDYPIEHNSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N8O2/c1-2-31-18-14(21(32)27-13-3-4-25-8-13)9-26-15(10-5-11(22)7-12(23)6-10)16(18)28-20(31)17-19(24)30-33-29-17/h5-7,9,13,25H,2-4,8H2,1H3,(H2,24,30)(H,27,32).
What are the key properties of 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3,5-dichlorophenyl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide?
2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3,5-dichlorophenyl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide has a molecular weight of 487.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3,5-dichlorophenyl)-1-ethyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide is sourced from PubChem (CID 68898817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).