ethyl 5-[2-[[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]cyclopropyl]-1,2,4-oxadiazole-3-carboxylate

C25H24N8O4 — CID 138525748

IUPACethyl 5-[2-[[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]cyclopropyl]-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(C2CC2Cn2cc(-c3nc4nccc(-c5cccc(N)c5CO)c4[nH]3)cn2)n1
InChIInChI=1S/C25H24N8O4/c1-2-36-25(35)23-31-24(37-32-23)17-8-13(17)10-33-11-14(9-28-33)21-29-20-16(6-7-27-22(20)30-21)15-4-3-5-19(26)18(15)12-34/h3-7,9,11,13,17,34H,2,8,10,12,26H2,1H3,(H,27,29,30)
InChIKeyDHXZEDBZMUVFRW-UHFFFAOYSA-N
MW500.52 g/mol
LogP2.93
Rot. Bonds8

About ethyl 5-[2-[[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]cyclopropyl]-1,2,4-oxadiazole-3-carboxylate

ethyl 5-[2-[[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]cyclopropyl]-1,2,4-oxadiazole-3-carboxylate (PubChem CID 138525748) has the molecular formula C25H24N8O4 and a molecular weight of 500.52 g/mol. Its IUPAC name is ethyl 5-[2-[[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]cyclopropyl]-1,2,4-oxadiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-[[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]cyclopropyl]-1,2,4-oxadiazole-3-carboxylate
PubChem CID138525748
Molecular FormulaC25H24N8O4
Molecular Weight500.52 g/mol
Exact Mass500.19
IUPAC Nameethyl 5-[2-[[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]cyclopropyl]-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(C2CC2Cn2cc(-c3nc4nccc(-c5cccc(N)c5CO)c4[nH]3)cn2)n1
InChIInChI=1S/C25H24N8O4/c1-2-36-25(35)23-31-24(37-32-23)17-8-13(17)10-33-11-14(9-28-33)21-29-20-16(6-7-27-22(20)30-21)15-4-3-5-19(26)18(15)12-34/h3-7,9,11,13,17,34H,2,8,10,12,26H2,1H3,(H,27,29,30)
InChIKeyDHXZEDBZMUVFRW-UHFFFAOYSA-N
XLogP2.93
TPSA170.86 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.52
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze ethyl 5-[2-[[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]cyclopropyl]-1,2,4-oxadiazole-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-[[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]cyclopropyl]-1,2,4-oxadiazole-3-carboxylate?
The IUPAC name of ethyl 5-[2-[[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]cyclopropyl]-1,2,4-oxadiazole-3-carboxylate (CID 138525748) is ethyl 5-[2-[[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]cyclopropyl]-1,2,4-oxadiazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[2-[[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]cyclopropyl]-1,2,4-oxadiazole-3-carboxylate?
The canonical SMILES for ethyl 5-[2-[[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]cyclopropyl]-1,2,4-oxadiazole-3-carboxylate is CCOC(=O)c1noc(C2CC2Cn2cc(-c3nc4nccc(-c5cccc(N)c5CO)c4[nH]3)cn2)n1.
What is the InChIKey of ethyl 5-[2-[[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]cyclopropyl]-1,2,4-oxadiazole-3-carboxylate?
The InChIKey is DHXZEDBZMUVFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O4/c1-2-36-25(35)23-31-24(37-32-23)17-8-13(17)10-33-11-14(9-28-33)21-29-20-16(6-7-27-22(20)30-21)15-4-3-5-19(26)18(15)12-34/h3-7,9,11,13,17,34H,2,8,10,12,26H2,1H3,(H,27,29,30).
What are the key properties of ethyl 5-[2-[[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]cyclopropyl]-1,2,4-oxadiazole-3-carboxylate?
ethyl 5-[2-[[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]cyclopropyl]-1,2,4-oxadiazole-3-carboxylate has a molecular weight of 500.52 g/mol, XLogP of 2.93, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-[[4-[7-[3-amino-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]pyrazol-1-yl]methyl]cyclopropyl]-1,2,4-oxadiazole-3-carboxylate is sourced from PubChem (CID 138525748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).