N-[5-[(3S)-3-ethylpyrrolidin-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

C26H29N7O4 — CID 163922721

About N-[5-[(3S)-3-ethylpyrrolidin-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-ethylpyrrolidin-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 163922721) has the molecular formula C26H29N7O4 and a molecular weight of 503.56 g/mol. Its IUPAC name is N-[5-[(3S)-3-ethylpyrrolidin-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-ethylpyrrolidin-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: 163922721
• Molecular Formula: C26H29N7O4
• Molecular Weight: 503.56 g/mol
• Exact Mass: 503.23
• IUPAC Name: N-[5-[(3S)-3-ethylpyrrolidin-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: CC[C@H]1CCN(c2nc3nc(N4CCOCC4)oc3cc2NC(=O)c2coc(-c3ccnc(C)c3)n2)C1
• InChI: InChI=1S/C26H29N7O4/c1-3-17-5-7-33(14-17)23-19(13-21-22(30-23)31-26(37-21)32-8-10-35-11-9-32)28-24(34)20-15-36-25(29-20)18-4-6-27-16(2)12-18/h4,6,12-13,15,17H,3,5,7-11,14H2,1-2H3,(H,28,34)/t17-/m0/s1
• InChIKey: RBUYOEWZWFATRK-KRWDZBQOSA-N
• XLogP: 3.91
• TPSA: 122.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.56
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3S)-3-ethylpyrrolidin-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-ethylpyrrolidin-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 163922721) is N-[5-[(3S)-3-ethylpyrrolidin-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-ethylpyrrolidin-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-ethylpyrrolidin-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 CC[C@H]1CCN(c2nc3nc(N4CCOCC4)oc3cc2NC(=O)c2coc(-c3ccnc(C)c3)n2)C1.

What is the InChIKey of N-[5-[(3S)-3-ethylpyrrolidin-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 RBUYOEWZWFATRK-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H29N7O4/c1-3-17-5-7-33(14-17)23-19(13-21-22(30-23)31-26(37-21)32-8-10-35-11-9-32)28-24(34)20-15-36-25(29-20)18-4-6-27-16(2)12-18/h4,6,12-13,15,17H,3,5,7-11,14H2,1-2H3,(H,28,34)/t17-/m0/s1.

What are the key properties of N-[5-[(3S)-3-ethylpyrrolidin-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-ethylpyrrolidin-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 503.56 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(3S)-3-ethylpyrrolidin-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 163922721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).