cyclopropane;3-[[6-[(7,7-dimethyl-5-oxo-8H-pyrano[4,3-b]pyridin-2-yl)amino]-4-[2-(methylamino)propan-2-yl]-2,7-naphthyridin-1-yl]oxy]azetidine-1-carbaldehyde

C29H36N6O4 — CID 165117793

About cyclopropane;3-[[6-[(7,7-dimethyl-5-oxo-8H-pyrano[4,3-b]pyridin-2-yl)amino]-4-[2-(methylamino)propan-2-yl]-2,7-naphthyridin-1-yl]oxy]azetidine-1-carbaldehyde

cyclopropane;3-[[6-[(7,7-dimethyl-5-oxo-8H-pyrano[4,3-b]pyridin-2-yl)amino]-4-[2-(methylamino)propan-2-yl]-2,7-naphthyridin-1-yl]oxy]azetidine-1-carbaldehyde (PubChem CID 165117793) has the molecular formula C29H36N6O4 and a molecular weight of 532.65 g/mol. Its IUPAC name is cyclopropane;3-[[6-[(7,7-dimethyl-5-oxo-8H-pyrano[4,3-b]pyridin-2-yl)amino]-4-[2-(methylamino)propan-2-yl]-2,7-naphthyridin-1-yl]oxy]azetidine-1-carbaldehyde.

Molecular Properties

• Compound Name: cyclopropane;3-[[6-[(7,7-dimethyl-5-oxo-8H-pyrano[4,3-b]pyridin-2-yl)amino]-4-[2-(methylamino)propan-2-yl]-2,7-naphthyridin-1-yl]oxy]azetidine-1-carbaldehyde
• PubChem CID: 165117793
• Molecular Formula: C29H36N6O4
• Molecular Weight: 532.65 g/mol
• Exact Mass: 532.28
• IUPAC Name: cyclopropane;3-[[6-[(7,7-dimethyl-5-oxo-8H-pyrano[4,3-b]pyridin-2-yl)amino]-4-[2-(methylamino)propan-2-yl]-2,7-naphthyridin-1-yl]oxy]azetidine-1-carbaldehyde
• SMILES: C1CC1.CNC(C)(C)c1cnc(OC2CN(C=O)C2)c2cnc(Nc3ccc4c(n3)CC(C)(C)OC4=O)cc12
• InChI: InChI=1S/C26H30N6O4.C3H6/c1-25(2)9-20-16(24(34)36-25)6-7-21(30-20)31-22-8-17-18(10-28-22)23(35-15-12-32(13-15)14-33)29-11-19(17)26(3,4)27-5;1-2-3-1/h6-8,10-11,14-15,27H,9,12-13H2,1-5H3,(H,28,30,31);1-3H2
• InChIKey: YZCQLYZSZYLTDY-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 118.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.65
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclopropane;3-[[6-[(7,7-dimethyl-5-oxo-8H-pyrano[4,3-b]pyridin-2-yl)amino]-4-[2-(methylamino)propan-2-yl]-2,7-naphthyridin-1-yl]oxy]azetidine-1-carbaldehyde?

The IUPAC name of cyclopropane;3-[[6-[(7,7-dimethyl-5-oxo-8H-pyrano[4,3-b]pyridin-2-yl)amino]-4-[2-(methylamino)propan-2-yl]-2,7-naphthyridin-1-yl]oxy]azetidine-1-carbaldehyde (CID 165117793) is cyclopropane;3-[[6-[(7,7-dimethyl-5-oxo-8H-pyrano[4,3-b]pyridin-2-yl)amino]-4-[2-(methylamino)propan-2-yl]-2,7-naphthyridin-1-yl]oxy]azetidine-1-carbaldehyde.

What is the SMILES notation for cyclopropane;3-[[6-[(7,7-dimethyl-5-oxo-8H-pyrano[4,3-b]pyridin-2-yl)amino]-4-[2-(methylamino)propan-2-yl]-2,7-naphthyridin-1-yl]oxy]azetidine-1-carbaldehyde?

The canonical SMILES for cyclopropane;3-[[6-[(7,7-dimethyl-5-oxo-8H-pyrano[4,3-b]pyridin-2-yl)amino]-4-[2-(methylamino)propan-2-yl]-2,7-naphthyridin-1-yl]oxy]azetidine-1-carbaldehyde is C1CC1.CNC(C)(C)c1cnc(OC2CN(C=O)C2)c2cnc(Nc3ccc4c(n3)CC(C)(C)OC4=O)cc12.

What is the InChIKey of cyclopropane;3-[[6-[(7,7-dimethyl-5-oxo-8H-pyrano[4,3-b]pyridin-2-yl)amino]-4-[2-(methylamino)propan-2-yl]-2,7-naphthyridin-1-yl]oxy]azetidine-1-carbaldehyde?

The InChIKey is YZCQLYZSZYLTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4.C3H6/c1-25(2)9-20-16(24(34)36-25)6-7-21(30-20)31-22-8-17-18(10-28-22)23(35-15-12-32(13-15)14-33)29-11-19(17)26(3,4)27-5;1-2-3-1/h6-8,10-11,14-15,27H,9,12-13H2,1-5H3,(H,28,30,31);1-3H2.

What are the key properties of cyclopropane;3-[[6-[(7,7-dimethyl-5-oxo-8H-pyrano[4,3-b]pyridin-2-yl)amino]-4-[2-(methylamino)propan-2-yl]-2,7-naphthyridin-1-yl]oxy]azetidine-1-carbaldehyde?

cyclopropane;3-[[6-[(7,7-dimethyl-5-oxo-8H-pyrano[4,3-b]pyridin-2-yl)amino]-4-[2-(methylamino)propan-2-yl]-2,7-naphthyridin-1-yl]oxy]azetidine-1-carbaldehyde has a molecular weight of 532.65 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropane;3-[[6-[(7,7-dimethyl-5-oxo-8H-pyrano[4,3-b]pyridin-2-yl)amino]-4-[2-(methylamino)propan-2-yl]-2,7-naphthyridin-1-yl]oxy]azetidine-1-carbaldehyde is sourced from PubChem (CID 165117793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).