8-(3-ethylazetidin-1-yl)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine;molecular hydrogen

C26H37N7O — CID 156802140

About 8-(3-ethylazetidin-1-yl)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine;molecular hydrogen

8-(3-ethylazetidin-1-yl)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine;molecular hydrogen (PubChem CID 156802140) has the molecular formula C26H37N7O and a molecular weight of 463.63 g/mol. Its IUPAC name is 8-(3-ethylazetidin-1-yl)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine;molecular hydrogen.

Molecular Properties

• Compound Name: 8-(3-ethylazetidin-1-yl)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine;molecular hydrogen
• PubChem CID: 156802140
• Molecular Formula: C26H37N7O
• Molecular Weight: 463.63 g/mol
• Exact Mass: 463.31
• IUPAC Name: 8-(3-ethylazetidin-1-yl)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine;molecular hydrogen
• SMILES: CCC1CN(c2ncc(C(C)C)c3cc(Nc4ccnc(N5CCC(OC)CC5)n4)ncc23)C1.[H][H]
• InChI: InChI=1S/C26H35N7O.H2/c1-5-18-15-33(16-18)25-22-14-28-24(12-20(22)21(13-29-25)17(2)3)30-23-6-9-27-26(31-23)32-10-7-19(34-4)8-11-32;/h6,9,12-14,17-19H,5,7-8,10-11,15-16H2,1-4H3,(H,27,28,30,31);1H
• InChIKey: SLEDLROFFOIDBJ-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 79.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.63
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-(3-ethylazetidin-1-yl)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine;molecular hydrogen?

The IUPAC name of 8-(3-ethylazetidin-1-yl)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine;molecular hydrogen (CID 156802140) is 8-(3-ethylazetidin-1-yl)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine;molecular hydrogen.

What is the SMILES notation for 8-(3-ethylazetidin-1-yl)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine;molecular hydrogen?

The canonical SMILES for 8-(3-ethylazetidin-1-yl)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine;molecular hydrogen is CCC1CN(c2ncc(C(C)C)c3cc(Nc4ccnc(N5CCC(OC)CC5)n4)ncc23)C1.[H][H].

What is the InChIKey of 8-(3-ethylazetidin-1-yl)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine;molecular hydrogen?

The InChIKey is SLEDLROFFOIDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7O.H2/c1-5-18-15-33(16-18)25-22-14-28-24(12-20(22)21(13-29-25)17(2)3)30-23-6-9-27-26(31-23)32-10-7-19(34-4)8-11-32;/h6,9,12-14,17-19H,5,7-8,10-11,15-16H2,1-4H3,(H,27,28,30,31);1H.

What are the key properties of 8-(3-ethylazetidin-1-yl)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine;molecular hydrogen?

8-(3-ethylazetidin-1-yl)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine;molecular hydrogen has a molecular weight of 463.63 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3-ethylazetidin-1-yl)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-5-propan-2-yl-2,7-naphthyridin-3-amine;molecular hydrogen is sourced from PubChem (CID 156802140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).