N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-1-methylpiperidine-4-carboxamide

C38H43N7O3 — CID 118885382

About N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-1-methylpiperidine-4-carboxamide

N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-1-methylpiperidine-4-carboxamide (PubChem CID 118885382) has the molecular formula C38H43N7O3 and a molecular weight of 645.81 g/mol. Its IUPAC name is N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-1-methylpiperidine-4-carboxamide
• PubChem CID: 118885382
• Molecular Formula: C38H43N7O3
• Molecular Weight: 645.81 g/mol
• Exact Mass: 645.34
• IUPAC Name: N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-1-methylpiperidine-4-carboxamide
• SMILES: Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCc3ccnc(NC(=O)C4CCN(C)CC4)c3)c3ccccc23)cc1
• InChI: InChI=1S/C38H43N7O3/c1-25-10-12-28(13-11-25)45-35(23-33(43-45)38(2,3)4)42-37(47)40-31-14-15-32(30-9-7-6-8-29(30)31)48-24-26-16-19-39-34(22-26)41-36(46)27-17-20-44(5)21-18-27/h6-16,19,22-23,27H,17-18,20-21,24H2,1-5H3,(H,39,41,46)(H2,40,42,47)
• InChIKey: FQTJPMWLJCHHJE-UHFFFAOYSA-N
• XLogP: 7.53
• TPSA: 113.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	645.81
LogP ≤ 5	7.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-1-methylpiperidine-4-carboxamide?

The IUPAC name of N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-1-methylpiperidine-4-carboxamide (CID 118885382) is N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-1-methylpiperidine-4-carboxamide.

What is the SMILES notation for N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-1-methylpiperidine-4-carboxamide?

The canonical SMILES for N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-1-methylpiperidine-4-carboxamide is Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCc3ccnc(NC(=O)C4CCN(C)CC4)c3)c3ccccc23)cc1.

What is the InChIKey of N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-1-methylpiperidine-4-carboxamide?

The InChIKey is FQTJPMWLJCHHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43N7O3/c1-25-10-12-28(13-11-25)45-35(23-33(43-45)38(2,3)4)42-37(47)40-31-14-15-32(30-9-7-6-8-29(30)31)48-24-26-16-19-39-34(22-26)41-36(46)27-17-20-44(5)21-18-27/h6-16,19,22-23,27H,17-18,20-21,24H2,1-5H3,(H,39,41,46)(H2,40,42,47).

What are the key properties of N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-1-methylpiperidine-4-carboxamide?

N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 645.81 g/mol, XLogP of 7.53, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 118885382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).