N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]ethanesulfonamide

C24H32N6O6S — CID 72946778

About N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]ethanesulfonamide

N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]ethanesulfonamide (PubChem CID 72946778) has the molecular formula C24H32N6O6S and a molecular weight of 532.62 g/mol. Its IUPAC name is N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]ethanesulfonamide.

Molecular Properties

• Compound Name: N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]ethanesulfonamide
• PubChem CID: 72946778
• Molecular Formula: C24H32N6O6S
• Molecular Weight: 532.62 g/mol
• Exact Mass: 532.21
• IUPAC Name: N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]ethanesulfonamide
• SMILES: CCS(=O)(=O)Nc1cc(-c2cc3c(C)nc(N)nc3n(C3CCC(OCCO)CC3)c2=O)cnc1OC
• InChI: InChI=1S/C24H32N6O6S/c1-4-37(33,34)29-20-11-15(13-26-22(20)35-3)19-12-18-14(2)27-24(25)28-21(18)30(23(19)32)16-5-7-17(8-6-16)36-10-9-31/h11-13,16-17,29,31H,4-10H2,1-3H3,(H2,25,27,28)
• InChIKey: FKQVFMUBONVWMQ-UHFFFAOYSA-N
• XLogP: 2.01
• TPSA: 171.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.62
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]ethanesulfonamide?

The IUPAC name of N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]ethanesulfonamide (CID 72946778) is N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]ethanesulfonamide.

What is the SMILES notation for N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]ethanesulfonamide?

The canonical SMILES for N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(-c2cc3c(C)nc(N)nc3n(C3CCC(OCCO)CC3)c2=O)cnc1OC.

What is the InChIKey of N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]ethanesulfonamide?

The InChIKey is FKQVFMUBONVWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O6S/c1-4-37(33,34)29-20-11-15(13-26-22(20)35-3)19-12-18-14(2)27-24(25)28-21(18)30(23(19)32)16-5-7-17(8-6-16)36-10-9-31/h11-13,16-17,29,31H,4-10H2,1-3H3,(H2,25,27,28).

What are the key properties of N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]ethanesulfonamide?

N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]ethanesulfonamide has a molecular weight of 532.62 g/mol, XLogP of 2.01, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-2-methoxy-3-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 72946778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).