N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexa-1,5-diene-1-sulfonamide

C₂₄H₂₆N₆O₃S — CID 123243661

About N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexa-1,5-diene-1-sulfonamide

N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexa-1,5-diene-1-sulfonamide (PubChem CID 123243661) has the molecular formula C₂₄H₂₆N₆O₃S and a molecular weight of 478.58 g/mol. Its IUPAC name is N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexa-1,5-diene-1-sulfonamide.

Molecular Properties

• Compound Name: N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexa-1,5-diene-1-sulfonamide
• PubChem CID: 123243661
• Molecular Formula: C₂₄H₂₆N₆O₃S
• Molecular Weight: 478.58 g/mol
• Exact Mass: 478.18
• IUPAC Name: N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexa-1,5-diene-1-sulfonamide
• SMILES: CN1CCC(Oc2ncnc3ccc(-c4cncc(NS(=O)(=O)C5=CCCC=C5)c4)nc23)CC1
• InChI: InChI=1S/C24H26N6O3S/c1-30-11-9-19(10-12-30)33-24-23-22(26-16-27-24)8-7-21(28-23)17-13-18(15-25-14-17)29-34(31,32)20-5-3-2-4-6-20/h3,5-8,13-16,19,29H,2,4,9-12H2,1H3
• InChIKey: NAGNNBOADKVPMU-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 110.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.58
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexa-1,5-diene-1-sulfonamide?

The IUPAC name of N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexa-1,5-diene-1-sulfonamide (CID 123243661) is N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexa-1,5-diene-1-sulfonamide.

What is the SMILES notation for N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexa-1,5-diene-1-sulfonamide?

The canonical SMILES for N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexa-1,5-diene-1-sulfonamide is CN1CCC(Oc2ncnc3ccc(-c4cncc(NS(=O)(=O)C5=CCCC=C5)c4)nc23)CC1.

What is the InChIKey of N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexa-1,5-diene-1-sulfonamide?

The InChIKey is NAGNNBOADKVPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3S/c1-30-11-9-19(10-12-30)33-24-23-22(26-16-27-24)8-7-21(28-23)17-13-18(15-25-14-17)29-34(31,32)20-5-3-2-4-6-20/h3,5-8,13-16,19,29H,2,4,9-12H2,1H3.

What are the key properties of N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexa-1,5-diene-1-sulfonamide?

N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexa-1,5-diene-1-sulfonamide has a molecular weight of 478.58 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-(1-methylpiperidin-4-yl)oxypyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]cyclohexa-1,5-diene-1-sulfonamide is sourced from PubChem (CID 123243661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123243661 — identifiers, structure, computed properties (public domain)

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