3-methoxy-5-[[4-[4-[[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-N-(2-morpholin-4-ylethyl)benzamide

C43H46N8O6 — CID 73331165

About 3-methoxy-5-[[4-[4-[[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-N-(2-morpholin-4-ylethyl)benzamide

3-methoxy-5-[[4-[4-[[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 73331165) has the molecular formula C43H46N8O6 and a molecular weight of 770.89 g/mol. Its IUPAC name is 3-methoxy-5-[[4-[4-[[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

• Compound Name: 3-methoxy-5-[[4-[4-[[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-N-(2-morpholin-4-ylethyl)benzamide
• PubChem CID: 73331165
• Molecular Formula: C43H46N8O6
• Molecular Weight: 770.89 g/mol
• Exact Mass: 770.35
• IUPAC Name: 3-methoxy-5-[[4-[4-[[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-N-(2-morpholin-4-ylethyl)benzamide
• SMILES: COc1ccc(-n2nc(C(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(OC)cc(C(=O)NCCN5CCOCC5)c4)c3)c3ccccc23)cc1
• InChI: InChI=1S/C43H46N8O6/c1-28(2)38-27-41(51(49-38)31-9-11-32(54-3)12-10-31)48-43(53)47-37-13-14-39(36-8-6-5-7-35(36)37)57-33-15-16-44-40(26-33)46-30-23-29(24-34(25-30)55-4)42(52)45-17-18-50-19-21-56-22-20-50/h5-16,23-28H,17-22H2,1-4H3,(H,44,46)(H,45,52)(H2,47,48,53)
• InChIKey: BZPKVUCAGBEWOQ-UHFFFAOYSA-N
• XLogP: 7.80
• TPSA: 153.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	770.89
LogP ≤ 5	7.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[[4-[4-[[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-N-(2-morpholin-4-ylethyl)benzamide?

The IUPAC name of 3-methoxy-5-[[4-[4-[[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-N-(2-morpholin-4-ylethyl)benzamide (CID 73331165) is 3-methoxy-5-[[4-[4-[[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-N-(2-morpholin-4-ylethyl)benzamide.

What is the SMILES notation for 3-methoxy-5-[[4-[4-[[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-N-(2-morpholin-4-ylethyl)benzamide?

The canonical SMILES for 3-methoxy-5-[[4-[4-[[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-N-(2-morpholin-4-ylethyl)benzamide is COc1ccc(-n2nc(C(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc(Nc4cc(OC)cc(C(=O)NCCN5CCOCC5)c4)c3)c3ccccc23)cc1.

What is the InChIKey of 3-methoxy-5-[[4-[4-[[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-N-(2-morpholin-4-ylethyl)benzamide?

The InChIKey is BZPKVUCAGBEWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H46N8O6/c1-28(2)38-27-41(51(49-38)31-9-11-32(54-3)12-10-31)48-43(53)47-37-13-14-39(36-8-6-5-7-35(36)37)57-33-15-16-44-40(26-33)46-30-23-29(24-34(25-30)55-4)42(52)45-17-18-50-19-21-56-22-20-50/h5-16,23-28H,17-22H2,1-4H3,(H,44,46)(H,45,52)(H2,47,48,53).

What are the key properties of 3-methoxy-5-[[4-[4-[[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-N-(2-morpholin-4-ylethyl)benzamide?

3-methoxy-5-[[4-[4-[[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 770.89 g/mol, XLogP of 7.80, 14 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-5-[[4-[4-[[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 73331165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).