N-[2-methoxy-5-[3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-1-yl]-3-pyridinyl]methanesulfonamide

C24H33N7O4S — CID 142458372

About N-[2-methoxy-5-[3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-1-yl]-3-pyridinyl]methanesulfonamide

N-[2-methoxy-5-[3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-1-yl]-3-pyridinyl]methanesulfonamide (PubChem CID 142458372) has the molecular formula C24H33N7O4S and a molecular weight of 515.64 g/mol. Its IUPAC name is N-[2-methoxy-5-[3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-1-yl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-methoxy-5-[3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-1-yl]-3-pyridinyl]methanesulfonamide
• PubChem CID: 142458372
• Molecular Formula: C24H33N7O4S
• Molecular Weight: 515.64 g/mol
• Exact Mass: 515.23
• IUPAC Name: N-[2-methoxy-5-[3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-1-yl]-3-pyridinyl]methanesulfonamide
• SMILES: COc1ncc(-n2nc(-c3cnn(CC4CCN(C)CC4)c3)c3c2CCOCC3)cc1NS(C)(=O)=O
• InChI: InChI=1S/C24H33N7O4S/c1-29-8-4-17(5-9-29)15-30-16-18(13-26-30)23-20-6-10-35-11-7-22(20)31(27-23)19-12-21(28-36(3,32)33)24(34-2)25-14-19/h12-14,16-17,28H,4-11,15H2,1-3H3
• InChIKey: NWTJSGQFTFCECI-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 116.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.64
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-1-yl]-3-pyridinyl]methanesulfonamide?

The IUPAC name of N-[2-methoxy-5-[3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-1-yl]-3-pyridinyl]methanesulfonamide (CID 142458372) is N-[2-methoxy-5-[3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-1-yl]-3-pyridinyl]methanesulfonamide.

What is the SMILES notation for N-[2-methoxy-5-[3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-1-yl]-3-pyridinyl]methanesulfonamide?

The canonical SMILES for N-[2-methoxy-5-[3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-1-yl]-3-pyridinyl]methanesulfonamide is COc1ncc(-n2nc(-c3cnn(CC4CCN(C)CC4)c3)c3c2CCOCC3)cc1NS(C)(=O)=O.

What is the InChIKey of N-[2-methoxy-5-[3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-1-yl]-3-pyridinyl]methanesulfonamide?

The InChIKey is NWTJSGQFTFCECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O4S/c1-29-8-4-17(5-9-29)15-30-16-18(13-26-30)23-20-6-10-35-11-7-22(20)31(27-23)19-12-21(28-36(3,32)33)24(34-2)25-14-19/h12-14,16-17,28H,4-11,15H2,1-3H3.

What are the key properties of N-[2-methoxy-5-[3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-1-yl]-3-pyridinyl]methanesulfonamide?

N-[2-methoxy-5-[3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-1-yl]-3-pyridinyl]methanesulfonamide has a molecular weight of 515.64 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methoxy-5-[3-[1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-yl]-4,5,7,8-tetrahydrooxepino[4,5-d]pyrazol-1-yl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 142458372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).