N-[5-[(3S)-3-aminopyrrolidin-1-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

C24H26N8O4 — CID 118224473

About N-[5-[(3S)-3-aminopyrrolidin-1-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

N-[5-[(3S)-3-aminopyrrolidin-1-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (PubChem CID 118224473) has the molecular formula C24H26N8O4 and a molecular weight of 490.52 g/mol. Its IUPAC name is N-[5-[(3S)-3-aminopyrrolidin-1-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(3S)-3-aminopyrrolidin-1-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
• PubChem CID: 118224473
• Molecular Formula: C24H26N8O4
• Molecular Weight: 490.52 g/mol
• Exact Mass: 490.21
• IUPAC Name: N-[5-[(3S)-3-aminopyrrolidin-1-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
• SMILES: Cc1cc(-c2nc(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3N3CC[C@H](N)C3)co2)ccn1
• InChI: InChI=1S/C24H26N8O4/c1-14-10-15(2-4-26-14)23-28-18(13-35-23)22(33)27-17-11-19-20(29-21(17)32-5-3-16(25)12-32)30-24(36-19)31-6-8-34-9-7-31/h2,4,10-11,13,16H,3,5-9,12,25H2,1H3,(H,27,33)/t16-/m0/s1
• InChIKey: APVNUCPUMXEUKZ-INIZCTEOSA-N
• XLogP: 2.21
• TPSA: 148.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.52
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3S)-3-aminopyrrolidin-1-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[5-[(3S)-3-aminopyrrolidin-1-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (CID 118224473) is N-[5-[(3S)-3-aminopyrrolidin-1-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[5-[(3S)-3-aminopyrrolidin-1-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[5-[(3S)-3-aminopyrrolidin-1-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is Cc1cc(-c2nc(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3N3CC[C@H](N)C3)co2)ccn1.

What is the InChIKey of N-[5-[(3S)-3-aminopyrrolidin-1-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?

The InChIKey is APVNUCPUMXEUKZ-INIZCTEOSA-N. The full InChI is InChI=1S/C24H26N8O4/c1-14-10-15(2-4-26-14)23-28-18(13-35-23)22(33)27-17-11-19-20(29-21(17)32-5-3-16(25)12-32)30-24(36-19)31-6-8-34-9-7-31/h2,4,10-11,13,16H,3,5-9,12,25H2,1H3,(H,27,33)/t16-/m0/s1.

What are the key properties of N-[5-[(3S)-3-aminopyrrolidin-1-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?

N-[5-[(3S)-3-aminopyrrolidin-1-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide has a molecular weight of 490.52 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(3S)-3-aminopyrrolidin-1-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118224473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).