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

C21H21F3N8O5 — CID 69297888

IUPAC[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(furan-2-yl)imidazo[4,5-c]pyridin-7-yl]-(3-aminopyrrolidin-1-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCCn1c(-c2nonc2N)nc2c(-c3ccco3)ncc(C(=O)N3CCC(N)C3)c21.O=C(O)C(F)(F)F
InChIInChI=1S/C19H20N8O3.C2HF3O2/c1-2-27-16-11(19(28)26-6-5-10(20)9-26)8-22-13(12-4-3-7-29-12)14(16)23-18(27)15-17(21)25-30-24-15;3-2(4,5)1(6)7/h3-4,7-8,10H,2,5-6,9,20H2,1H3,(H2,21,25);(H,6,7)
InChIKeyTYSOVTLTMLAMPT-UHFFFAOYSA-N
MW522.44 g/mol
LogP2.15
Rot. Bonds4

About [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(furan-2-yl)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-(furan-2-yl)imidazo[4,5-c]pyridin-7-yl]-(3-aminopyrrolidin-1-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 69297888) has the molecular formula C21H21F3N8O5 and a molecular weight of 522.44 g/mol. Its IUPAC name is [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(furan-2-yl)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-(furan-2-yl)imidazo[4,5-c]pyridin-7-yl]-(3-aminopyrrolidin-1-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID69297888
Molecular FormulaC21H21F3N8O5
Molecular Weight522.44 g/mol
Exact Mass522.16
IUPAC Name[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(furan-2-yl)imidazo[4,5-c]pyridin-7-yl]-(3-aminopyrrolidin-1-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCCn1c(-c2nonc2N)nc2c(-c3ccco3)ncc(C(=O)N3CCC(N)C3)c21.O=C(O)C(F)(F)F
InChIInChI=1S/C19H20N8O3.C2HF3O2/c1-2-27-16-11(19(28)26-6-5-10(20)9-26)8-22-13(12-4-3-7-29-12)14(16)23-18(27)15-17(21)25-30-24-15;3-2(4,5)1(6)7/h3-4,7-8,10H,2,5-6,9,20H2,1H3,(H2,21,25);(H,6,7)
InChIKeyTYSOVTLTMLAMPT-UHFFFAOYSA-N
XLogP2.15
TPSA192.42 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.44
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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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-(furan-2-yl)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-(furan-2-yl)imidazo[4,5-c]pyridin-7-yl]-(3-aminopyrrolidin-1-yl)methanone;2,2,2-trifluoroacetic acid (CID 69297888) is [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(furan-2-yl)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-(furan-2-yl)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-(furan-2-yl)imidazo[4,5-c]pyridin-7-yl]-(3-aminopyrrolidin-1-yl)methanone;2,2,2-trifluoroacetic acid is CCn1c(-c2nonc2N)nc2c(-c3ccco3)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-(furan-2-yl)imidazo[4,5-c]pyridin-7-yl]-(3-aminopyrrolidin-1-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is TYSOVTLTMLAMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O3.C2HF3O2/c1-2-27-16-11(19(28)26-6-5-10(20)9-26)8-22-13(12-4-3-7-29-12)14(16)23-18(27)15-17(21)25-30-24-15;3-2(4,5)1(6)7/h3-4,7-8,10H,2,5-6,9,20H2,1H3,(H2,21,25);(H,6,7).
What are the key properties of [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(furan-2-yl)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-(furan-2-yl)imidazo[4,5-c]pyridin-7-yl]-(3-aminopyrrolidin-1-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 522.44 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 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-(furan-2-yl)imidazo[4,5-c]pyridin-7-yl]-(3-aminopyrrolidin-1-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69297888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).