N-[4-[4-[[3-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]morpholine-4-carboxamide

C34H36N8O5 — CID 137427950

About N-[4-[4-[[3-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]morpholine-4-carboxamide

N-[4-[4-[[3-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]morpholine-4-carboxamide (PubChem CID 137427950) has the molecular formula C34H36N8O5 and a molecular weight of 636.71 g/mol. Its IUPAC name is N-[4-[4-[[3-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]morpholine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[4-[[3-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]morpholine-4-carboxamide
• PubChem CID: 137427950
• Molecular Formula: C34H36N8O5
• Molecular Weight: 636.71 g/mol
• Exact Mass: 636.28
• IUPAC Name: N-[4-[4-[[3-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]morpholine-4-carboxamide
• SMILES: CCCCc1cc(NC(=O)Nc2ccc(Oc3ccnc(NC(=O)N4CCOCC4)c3)c3ccccc23)n(-c2ccc(OC)nc2)n1
• InChI: InChI=1S/C34H36N8O5/c1-3-4-7-23-20-31(42(40-23)24-10-13-32(45-2)36-22-24)39-33(43)37-28-11-12-29(27-9-6-5-8-26(27)28)47-25-14-15-35-30(21-25)38-34(44)41-16-18-46-19-17-41/h5-6,8-15,20-22H,3-4,7,16-19H2,1-2H3,(H,35,38,44)(H2,37,39,43)
• InChIKey: YGQWNJXEPHSABC-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 144.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.71
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[3-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]morpholine-4-carboxamide?

The IUPAC name of N-[4-[4-[[3-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]morpholine-4-carboxamide (CID 137427950) is N-[4-[4-[[3-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]morpholine-4-carboxamide.

What is the SMILES notation for N-[4-[4-[[3-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]morpholine-4-carboxamide?

The canonical SMILES for N-[4-[4-[[3-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]morpholine-4-carboxamide is CCCCc1cc(NC(=O)Nc2ccc(Oc3ccnc(NC(=O)N4CCOCC4)c3)c3ccccc23)n(-c2ccc(OC)nc2)n1.

What is the InChIKey of N-[4-[4-[[3-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]morpholine-4-carboxamide?

The InChIKey is YGQWNJXEPHSABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N8O5/c1-3-4-7-23-20-31(42(40-23)24-10-13-32(45-2)36-22-24)39-33(43)37-28-11-12-29(27-9-6-5-8-26(27)28)47-25-14-15-35-30(21-25)38-34(44)41-16-18-46-19-17-41/h5-6,8-15,20-22H,3-4,7,16-19H2,1-2H3,(H,35,38,44)(H2,37,39,43).

What are the key properties of N-[4-[4-[[3-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]morpholine-4-carboxamide?

N-[4-[4-[[3-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]morpholine-4-carboxamide has a molecular weight of 636.71 g/mol, XLogP of 6.47, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[[3-butyl-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]morpholine-4-carboxamide is sourced from PubChem (CID 137427950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).