5-[[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]amino]-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazine-2-carboxamide

C44H50N10O4 — CID 118317444

About 5-[[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]amino]-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazine-2-carboxamide

5-[[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]amino]-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazine-2-carboxamide (PubChem CID 118317444) has the molecular formula C44H50N10O4 and a molecular weight of 782.95 g/mol. Its IUPAC name is 5-[[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]amino]-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]amino]-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazine-2-carboxamide
• PubChem CID: 118317444
• Molecular Formula: C44H50N10O4
• Molecular Weight: 782.95 g/mol
• Exact Mass: 782.40
• IUPAC Name: 5-[[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]amino]-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazine-2-carboxamide
• SMILES: Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCc3ccnc(Nc4cnc(C(=O)NC(C)(C)CN5CCOCC5)cn4)c3)c3ccccc23)cc1
• InChI: InChI=1S/C44H50N10O4/c1-29-11-13-31(14-12-29)54-40(24-37(52-54)43(2,3)4)50-42(56)48-34-15-16-36(33-10-8-7-9-32(33)34)58-27-30-17-18-45-38(23-30)49-39-26-46-35(25-47-39)41(55)51-44(5,6)28-53-19-21-57-22-20-53/h7-18,23-26H,19-22,27-28H2,1-6H3,(H,51,55)(H,45,47,49)(H2,48,50,56)
• InChIKey: YNEZYEMJDUZFQR-UHFFFAOYSA-N
• XLogP: 7.62
• TPSA: 160.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	782.95
LogP ≤ 5	7.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 5-[[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]amino]-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazine-2-carboxamide (CID 118317444) is 5-[[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]amino]-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazine-2-carboxamide.

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

The canonical SMILES for 5-[[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]amino]-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazine-2-carboxamide is Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCc3ccnc(Nc4cnc(C(=O)NC(C)(C)CN5CCOCC5)cn4)c3)c3ccccc23)cc1.

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

The InChIKey is YNEZYEMJDUZFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H50N10O4/c1-29-11-13-31(14-12-29)54-40(24-37(52-54)43(2,3)4)50-42(56)48-34-15-16-36(33-10-8-7-9-32(33)34)58-27-30-17-18-45-38(23-30)49-39-26-46-35(25-47-39)41(55)51-44(5,6)28-53-19-21-57-22-20-53/h7-18,23-26H,19-22,27-28H2,1-6H3,(H,51,55)(H,45,47,49)(H2,48,50,56).

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

5-[[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]amino]-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazine-2-carboxamide has a molecular weight of 782.95 g/mol, XLogP of 7.62, 12 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]amino]-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 118317444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).