5-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide

C23H20N8O3 — CID 121249972

IUPAC5-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCn1cc(-c2nc3nccc(-c4cccc(NC(=O)c5noc(C6CC6)n5)c4CO)c3[nH]2)cn1
InChIInChI=1S/C23H20N8O3/c1-31-10-13(9-25-31)19-27-18-15(7-8-24-20(18)28-19)14-3-2-4-17(16(14)11-32)26-22(33)21-29-23(34-30-21)12-5-6-12/h2-4,7-10,12,32H,5-6,11H2,1H3,(H,26,33)(H,24,27,28)
InChIKeyMOJUKHACBLWADC-UHFFFAOYSA-N
MW456.47 g/mol
LogP3.03
Rot. Bonds6

About 5-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide

5-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 121249972) has the molecular formula C23H20N8O3 and a molecular weight of 456.47 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID121249972
Molecular FormulaC23H20N8O3
Molecular Weight456.47 g/mol
Exact Mass456.17
IUPAC Name5-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCn1cc(-c2nc3nccc(-c4cccc(NC(=O)c5noc(C6CC6)n5)c4CO)c3[nH]2)cn1
InChIInChI=1S/C23H20N8O3/c1-31-10-13(9-25-31)19-27-18-15(7-8-24-20(18)28-19)14-3-2-4-17(16(14)11-32)26-22(33)21-29-23(34-30-21)12-5-6-12/h2-4,7-10,12,32H,5-6,11H2,1H3,(H,26,33)(H,24,27,28)
InChIKeyMOJUKHACBLWADC-UHFFFAOYSA-N
XLogP3.03
TPSA147.64 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide (CID 121249972) is 5-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide is Cn1cc(-c2nc3nccc(-c4cccc(NC(=O)c5noc(C6CC6)n5)c4CO)c3[nH]2)cn1.
What is the InChIKey of 5-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is MOJUKHACBLWADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O3/c1-31-10-13(9-25-31)19-27-18-15(7-8-24-20(18)28-19)14-3-2-4-17(16(14)11-32)26-22(33)21-29-23(34-30-21)12-5-6-12/h2-4,7-10,12,32H,5-6,11H2,1H3,(H,26,33)(H,24,27,28).
What are the key properties of 5-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide?
5-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 456.47 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(hydroxymethyl)-3-[2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 121249972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).