N-[5-(4-methylpiperazin-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;hydrochloride

C25H29ClN8O4 — CID 118224222

About N-[5-(4-methylpiperazin-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;hydrochloride

N-[5-(4-methylpiperazin-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;hydrochloride (PubChem CID 118224222) has the molecular formula C25H29ClN8O4 and a molecular weight of 541.01 g/mol. Its IUPAC name is N-[5-(4-methylpiperazin-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;hydrochloride.

Molecular Properties

• Compound Name: N-[5-(4-methylpiperazin-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;hydrochloride
• PubChem CID: 118224222
• Molecular Formula: C25H29ClN8O4
• Molecular Weight: 541.01 g/mol
• Exact Mass: 540.20
• IUPAC Name: N-[5-(4-methylpiperazin-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;hydrochloride
• SMILES: Cc1cc(-c2nc(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3N3CCN(C)CC3)co2)ccn1.Cl
• InChI: InChI=1S/C25H28N8O4.ClH/c1-16-13-17(3-4-26-16)24-28-19(15-36-24)23(34)27-18-14-20-21(29-22(18)32-7-5-31(2)6-8-32)30-25(37-20)33-9-11-35-12-10-33;/h3-4,13-15H,5-12H2,1-2H3,(H,27,34);1H
• InChIKey: RVRFDMKFNQDTQN-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 125.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.01
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylpiperazin-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;hydrochloride?

The IUPAC name of N-[5-(4-methylpiperazin-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;hydrochloride (CID 118224222) is N-[5-(4-methylpiperazin-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;hydrochloride.

What is the SMILES notation for N-[5-(4-methylpiperazin-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;hydrochloride?

The canonical SMILES for N-[5-(4-methylpiperazin-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;hydrochloride is Cc1cc(-c2nc(C(=O)Nc3cc4oc(N5CCOCC5)nc4nc3N3CCN(C)CC3)co2)ccn1.Cl.

What is the InChIKey of N-[5-(4-methylpiperazin-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;hydrochloride?

The InChIKey is RVRFDMKFNQDTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O4.ClH/c1-16-13-17(3-4-26-16)24-28-19(15-36-24)23(34)27-18-14-20-21(29-22(18)32-7-5-31(2)6-8-32)30-25(37-20)33-9-11-35-12-10-33;/h3-4,13-15H,5-12H2,1-2H3,(H,27,34);1H.

What are the key properties of N-[5-(4-methylpiperazin-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;hydrochloride?

N-[5-(4-methylpiperazin-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;hydrochloride has a molecular weight of 541.01 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(4-methylpiperazin-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;hydrochloride is sourced from PubChem (CID 118224222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).