N-[4-[4-[[3-cyclopropyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-2-methoxyacetamide

C32H30N6O4 — CID 54589303

About N-[4-[4-[[3-cyclopropyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-2-methoxyacetamide

N-[4-[4-[[3-cyclopropyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-2-methoxyacetamide (PubChem CID 54589303) has the molecular formula C32H30N6O4 and a molecular weight of 562.63 g/mol. Its IUPAC name is N-[4-[4-[[3-cyclopropyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-2-methoxyacetamide.

Molecular Properties

• Compound Name: N-[4-[4-[[3-cyclopropyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-2-methoxyacetamide
• PubChem CID: 54589303
• Molecular Formula: C32H30N6O4
• Molecular Weight: 562.63 g/mol
• Exact Mass: 562.23
• IUPAC Name: N-[4-[4-[[3-cyclopropyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-2-methoxyacetamide
• SMILES: COCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(C4CC4)nn3-c3ccc(C)cc3)c3ccccc23)ccn1
• InChI: InChI=1S/C32H30N6O4/c1-20-7-11-22(12-8-20)38-30(18-27(37-38)21-9-10-21)36-32(40)34-26-13-14-28(25-6-4-3-5-24(25)26)42-23-15-16-33-29(17-23)35-31(39)19-41-2/h3-8,11-18,21H,9-10,19H2,1-2H3,(H,33,35,39)(H2,34,36,40)
• InChIKey: LWZUAIHHCDYOLN-UHFFFAOYSA-N
• XLogP: 6.63
• TPSA: 119.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.63
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[3-cyclopropyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-2-methoxyacetamide?

The IUPAC name of N-[4-[4-[[3-cyclopropyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-2-methoxyacetamide (CID 54589303) is N-[4-[4-[[3-cyclopropyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-2-methoxyacetamide.

What is the SMILES notation for N-[4-[4-[[3-cyclopropyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-2-methoxyacetamide?

The canonical SMILES for N-[4-[4-[[3-cyclopropyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-2-methoxyacetamide is COCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(C4CC4)nn3-c3ccc(C)cc3)c3ccccc23)ccn1.

What is the InChIKey of N-[4-[4-[[3-cyclopropyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-2-methoxyacetamide?

The InChIKey is LWZUAIHHCDYOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N6O4/c1-20-7-11-22(12-8-20)38-30(18-27(37-38)21-9-10-21)36-32(40)34-26-13-14-28(25-6-4-3-5-24(25)26)42-23-15-16-33-29(17-23)35-31(39)19-41-2/h3-8,11-18,21H,9-10,19H2,1-2H3,(H,33,35,39)(H2,34,36,40).

What are the key properties of N-[4-[4-[[3-cyclopropyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-2-methoxyacetamide?

N-[4-[4-[[3-cyclopropyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-2-methoxyacetamide has a molecular weight of 562.63 g/mol, XLogP of 6.63, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[[3-cyclopropyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-2-methoxyacetamide is sourced from PubChem (CID 54589303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).