[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-[2-(hydroxymethyl)phenyl]imidazo[4,5-c]pyridin-7-yl]-(3-aminopyrrolidin-1-yl)methanone;2,2,2-trifluoroacetic acid

C24H25F3N8O5 — CID 69298018

IUPAC[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-[2-(hydroxymethyl)phenyl]imidazo[4,5-c]pyridin-7-yl]-(3-aminopyrrolidin-1-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCCn1c(-c2nonc2N)nc2c(-c3ccccc3CO)ncc(C(=O)N3CCC(N)C3)c21.O=C(O)C(F)(F)F
InChIInChI=1S/C22H24N8O3.C2HF3O2/c1-2-30-19-15(22(32)29-8-7-13(23)10-29)9-25-16(14-6-4-3-5-12(14)11-31)17(19)26-21(30)18-20(24)28-33-27-18;3-2(4,5)1(6)7/h3-6,9,13,31H,2,7-8,10-11,23H2,1H3,(H2,24,28);(H,6,7)
InChIKeyZJZYDTQCWUGTAI-UHFFFAOYSA-N
MW562.51 g/mol
LogP2.05
Rot. Bonds5

About [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-[2-(hydroxymethyl)phenyl]imidazo[4,5-c]pyridin-7-yl]-(3-aminopyrrolidin-1-yl)methanone;2,2,2-trifluoroacetic acid

[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-[2-(hydroxymethyl)phenyl]imidazo[4,5-c]pyridin-7-yl]-(3-aminopyrrolidin-1-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 69298018) has the molecular formula C24H25F3N8O5 and a molecular weight of 562.51 g/mol. Its IUPAC name is [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-[2-(hydroxymethyl)phenyl]imidazo[4,5-c]pyridin-7-yl]-(3-aminopyrrolidin-1-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-[2-(hydroxymethyl)phenyl]imidazo[4,5-c]pyridin-7-yl]-(3-aminopyrrolidin-1-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID69298018
Molecular FormulaC24H25F3N8O5
Molecular Weight562.51 g/mol
Exact Mass562.19
IUPAC Name[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-[2-(hydroxymethyl)phenyl]imidazo[4,5-c]pyridin-7-yl]-(3-aminopyrrolidin-1-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCCn1c(-c2nonc2N)nc2c(-c3ccccc3CO)ncc(C(=O)N3CCC(N)C3)c21.O=C(O)C(F)(F)F
InChIInChI=1S/C22H24N8O3.C2HF3O2/c1-2-30-19-15(22(32)29-8-7-13(23)10-29)9-25-16(14-6-4-3-5-12(14)11-31)17(19)26-21(30)18-20(24)28-33-27-18;3-2(4,5)1(6)7/h3-6,9,13,31H,2,7-8,10-11,23H2,1H3,(H2,24,28);(H,6,7)
InChIKeyZJZYDTQCWUGTAI-UHFFFAOYSA-N
XLogP2.05
TPSA199.51 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.51
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-[2-(hydroxymethyl)phenyl]imidazo[4,5-c]pyridin-7-yl]-(3-aminopyrrolidin-1-yl)methanone;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-[2-(hydroxymethyl)phenyl]imidazo[4,5-c]pyridin-7-yl]-(3-aminopyrrolidin-1-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-[2-(hydroxymethyl)phenyl]imidazo[4,5-c]pyridin-7-yl]-(3-aminopyrrolidin-1-yl)methanone;2,2,2-trifluoroacetic acid (CID 69298018) is [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-[2-(hydroxymethyl)phenyl]imidazo[4,5-c]pyridin-7-yl]-(3-aminopyrrolidin-1-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-[2-(hydroxymethyl)phenyl]imidazo[4,5-c]pyridin-7-yl]-(3-aminopyrrolidin-1-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-[2-(hydroxymethyl)phenyl]imidazo[4,5-c]pyridin-7-yl]-(3-aminopyrrolidin-1-yl)methanone;2,2,2-trifluoroacetic acid is CCn1c(-c2nonc2N)nc2c(-c3ccccc3CO)ncc(C(=O)N3CCC(N)C3)c21.O=C(O)C(F)(F)F.
What is the InChIKey of [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-[2-(hydroxymethyl)phenyl]imidazo[4,5-c]pyridin-7-yl]-(3-aminopyrrolidin-1-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is ZJZYDTQCWUGTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O3.C2HF3O2/c1-2-30-19-15(22(32)29-8-7-13(23)10-29)9-25-16(14-6-4-3-5-12(14)11-31)17(19)26-21(30)18-20(24)28-33-27-18;3-2(4,5)1(6)7/h3-6,9,13,31H,2,7-8,10-11,23H2,1H3,(H2,24,28);(H,6,7).
What are the key properties of [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-[2-(hydroxymethyl)phenyl]imidazo[4,5-c]pyridin-7-yl]-(3-aminopyrrolidin-1-yl)methanone;2,2,2-trifluoroacetic acid?
[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-[2-(hydroxymethyl)phenyl]imidazo[4,5-c]pyridin-7-yl]-(3-aminopyrrolidin-1-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 562.51 g/mol, XLogP of 2.05, 5 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-[2-(hydroxymethyl)phenyl]imidazo[4,5-c]pyridin-7-yl]-(3-aminopyrrolidin-1-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69298018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).