4-[5-(1-methylsulfonylpiperidin-4-yl)oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol

C24H37N5O4S — CID 137420276

About 4-[5-(1-methylsulfonylpiperidin-4-yl)oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol

4-[5-(1-methylsulfonylpiperidin-4-yl)oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol (PubChem CID 137420276) has the molecular formula C24H37N5O4S and a molecular weight of 491.66 g/mol. Its IUPAC name is 4-[5-(1-methylsulfonylpiperidin-4-yl)oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol.

Molecular Properties

• Compound Name: 4-[5-(1-methylsulfonylpiperidin-4-yl)oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
• PubChem CID: 137420276
• Molecular Formula: C24H37N5O4S
• Molecular Weight: 491.66 g/mol
• Exact Mass: 491.26
• IUPAC Name: 4-[5-(1-methylsulfonylpiperidin-4-yl)oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
• SMILES: CCCC(C)Nc1ncc2c(OC3CCN(S(C)(=O)=O)CC3)ncc(C3CCC(O)CC3)c2n1
• InChI: InChI=1S/C24H37N5O4S/c1-4-5-16(2)27-24-26-15-21-22(28-24)20(17-6-8-18(30)9-7-17)14-25-23(21)33-19-10-12-29(13-11-19)34(3,31)32/h14-19,30H,4-13H2,1-3H3,(H,26,27,28)
• InChIKey: QGRJYLWINQWNRN-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 117.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.66
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-methylsulfonylpiperidin-4-yl)oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?

The IUPAC name of 4-[5-(1-methylsulfonylpiperidin-4-yl)oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol (CID 137420276) is 4-[5-(1-methylsulfonylpiperidin-4-yl)oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol.

What is the SMILES notation for 4-[5-(1-methylsulfonylpiperidin-4-yl)oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?

The canonical SMILES for 4-[5-(1-methylsulfonylpiperidin-4-yl)oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol is CCCC(C)Nc1ncc2c(OC3CCN(S(C)(=O)=O)CC3)ncc(C3CCC(O)CC3)c2n1.

What is the InChIKey of 4-[5-(1-methylsulfonylpiperidin-4-yl)oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?

The InChIKey is QGRJYLWINQWNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O4S/c1-4-5-16(2)27-24-26-15-21-22(28-24)20(17-6-8-18(30)9-7-17)14-25-23(21)33-19-10-12-29(13-11-19)34(3,31)32/h14-19,30H,4-13H2,1-3H3,(H,26,27,28).

What are the key properties of 4-[5-(1-methylsulfonylpiperidin-4-yl)oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?

4-[5-(1-methylsulfonylpiperidin-4-yl)oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol has a molecular weight of 491.66 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(1-methylsulfonylpiperidin-4-yl)oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol is sourced from PubChem (CID 137420276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).