6-[[(1S)-5-[3-chloro-4-(6-methoxy-2-pyridinyl)-2-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde

C29H24ClF3N4O3 — CID 175513171

About 6-[[(1S)-5-[3-chloro-4-(6-methoxy-2-pyridinyl)-2-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde

6-[[(1S)-5-[3-chloro-4-(6-methoxy-2-pyridinyl)-2-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde (PubChem CID 175513171) has the molecular formula C29H24ClF3N4O3 and a molecular weight of 568.98 g/mol. Its IUPAC name is 6-[[(1S)-5-[3-chloro-4-(6-methoxy-2-pyridinyl)-2-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: 6-[[(1S)-5-[3-chloro-4-(6-methoxy-2-pyridinyl)-2-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde
• PubChem CID: 175513171
• Molecular Formula: C29H24ClF3N4O3
• Molecular Weight: 568.98 g/mol
• Exact Mass: 568.15
• IUPAC Name: 6-[[(1S)-5-[3-chloro-4-(6-methoxy-2-pyridinyl)-2-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde
• SMILES: COc1cccc(-c2ccnc(-c3cccc4c3CCC[C@@H]4Nc3nc(OC)c(C=O)cc3C(F)(F)F)c2Cl)n1
• InChI: InChI=1S/C29H24ClF3N4O3/c1-39-24-11-5-10-23(35-24)20-12-13-34-26(25(20)30)19-8-3-7-18-17(19)6-4-9-22(18)36-27-21(29(31,32)33)14-16(15-38)28(37-27)40-2/h3,5,7-8,10-15,22H,4,6,9H2,1-2H3,(H,36,37)/t22-/m0/s1
• InChIKey: WESBEYILNMZPOB-QFIPXVFZSA-N
• XLogP: 7.20
• TPSA: 86.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.98
LogP ≤ 5	7.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S)-5-[3-chloro-4-(6-methoxy-2-pyridinyl)-2-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde?

The IUPAC name of 6-[[(1S)-5-[3-chloro-4-(6-methoxy-2-pyridinyl)-2-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde (CID 175513171) is 6-[[(1S)-5-[3-chloro-4-(6-methoxy-2-pyridinyl)-2-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde.

What is the SMILES notation for 6-[[(1S)-5-[3-chloro-4-(6-methoxy-2-pyridinyl)-2-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde?

The canonical SMILES for 6-[[(1S)-5-[3-chloro-4-(6-methoxy-2-pyridinyl)-2-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde is COc1cccc(-c2ccnc(-c3cccc4c3CCC[C@@H]4Nc3nc(OC)c(C=O)cc3C(F)(F)F)c2Cl)n1.

What is the InChIKey of 6-[[(1S)-5-[3-chloro-4-(6-methoxy-2-pyridinyl)-2-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde?

The InChIKey is WESBEYILNMZPOB-QFIPXVFZSA-N. The full InChI is InChI=1S/C29H24ClF3N4O3/c1-39-24-11-5-10-23(35-24)20-12-13-34-26(25(20)30)19-8-3-7-18-17(19)6-4-9-22(18)36-27-21(29(31,32)33)14-16(15-38)28(37-27)40-2/h3,5,7-8,10-15,22H,4,6,9H2,1-2H3,(H,36,37)/t22-/m0/s1.

What are the key properties of 6-[[(1S)-5-[3-chloro-4-(6-methoxy-2-pyridinyl)-2-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde?

6-[[(1S)-5-[3-chloro-4-(6-methoxy-2-pyridinyl)-2-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 568.98 g/mol, XLogP of 7.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(1S)-5-[3-chloro-4-(6-methoxy-2-pyridinyl)-2-pyridinyl]-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 175513171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).