5-cyclohexyl-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine

C25H30N6O2 — CID 139898617

About 5-cyclohexyl-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine

5-cyclohexyl-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 139898617) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 5-cyclohexyl-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-cyclohexyl-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
• PubChem CID: 139898617
• Molecular Formula: C25H30N6O2
• Molecular Weight: 446.56 g/mol
• Exact Mass: 446.24
• IUPAC Name: 5-cyclohexyl-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
• SMILES: Nc1ncnc2nc(-c3ccc(N4CCC5(CC4)OCCO5)nc3)cc(C3CCCCC3)c12
• InChI: InChI=1S/C25H30N6O2/c26-23-22-19(17-4-2-1-3-5-17)14-20(30-24(22)29-16-28-23)18-6-7-21(27-15-18)31-10-8-25(9-11-31)32-12-13-33-25/h6-7,14-17H,1-5,8-13H2,(H2,26,28,29,30)
• InChIKey: INNWFGGHPAYHMX-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 99.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.56
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?

The IUPAC name of 5-cyclohexyl-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine (CID 139898617) is 5-cyclohexyl-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 5-cyclohexyl-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 5-cyclohexyl-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine is Nc1ncnc2nc(-c3ccc(N4CCC5(CC4)OCCO5)nc3)cc(C3CCCCC3)c12.

What is the InChIKey of 5-cyclohexyl-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?

The InChIKey is INNWFGGHPAYHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c26-23-22-19(17-4-2-1-3-5-17)14-20(30-24(22)29-16-28-23)18-6-7-21(27-15-18)31-10-8-25(9-11-31)32-12-13-33-25/h6-7,14-17H,1-5,8-13H2,(H2,26,28,29,30).

What are the key properties of 5-cyclohexyl-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?

5-cyclohexyl-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 446.56 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclohexyl-7-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 139898617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).