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

C44H48N10O5 — CID 144902057

About 5-[[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]amino]-N-[(4R)-4-morpholin-4-yloxolan-3-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-[(4R)-4-morpholin-4-yloxolan-3-yl]pyrazine-2-carboxamide (PubChem CID 144902057) has the molecular formula C44H48N10O5 and a molecular weight of 796.93 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-[(4R)-4-morpholin-4-yloxolan-3-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-[(4R)-4-morpholin-4-yloxolan-3-yl]pyrazine-2-carboxamide
• PubChem CID: 144902057
• Molecular Formula: C44H48N10O5
• Molecular Weight: 796.93 g/mol
• Exact Mass: 796.38
• IUPAC Name: 5-[[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]amino]-N-[(4R)-4-morpholin-4-yloxolan-3-yl]pyrazine-2-carboxamide
• SMILES: Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCc3ccnc(Nc4cnc(C(=O)NC5COC[C@@H]5N5CCOCC5)cn4)c3)c3ccccc23)cc1
• InChI: InChI=1S/C44H48N10O5/c1-28-9-11-30(12-10-28)54-41(22-38(52-54)44(2,3)4)51-43(56)49-33-13-14-37(32-8-6-5-7-31(32)33)59-25-29-15-16-45-39(21-29)50-40-24-46-34(23-47-40)42(55)48-35-26-58-27-36(35)53-17-19-57-20-18-53/h5-16,21-24,35-36H,17-20,25-27H2,1-4H3,(H,48,55)(H,45,47,50)(H2,49,51,56)/t35?,36-/m0/s1
• InChIKey: ROTMZYODYCZUJE-UHBYFKDRSA-N
• XLogP: 6.61
• TPSA: 169.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	796.93
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

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-[(4R)-4-morpholin-4-yloxolan-3-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-[(4R)-4-morpholin-4-yloxolan-3-yl]pyrazine-2-carboxamide (CID 144902057) is 5-[[4-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]amino]-N-[(4R)-4-morpholin-4-yloxolan-3-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-[(4R)-4-morpholin-4-yloxolan-3-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-[(4R)-4-morpholin-4-yloxolan-3-yl]pyrazine-2-carboxamide is Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCc3ccnc(Nc4cnc(C(=O)NC5COC[C@@H]5N5CCOCC5)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-[(4R)-4-morpholin-4-yloxolan-3-yl]pyrazine-2-carboxamide?

The InChIKey is ROTMZYODYCZUJE-UHBYFKDRSA-N. The full InChI is InChI=1S/C44H48N10O5/c1-28-9-11-30(12-10-28)54-41(22-38(52-54)44(2,3)4)51-43(56)49-33-13-14-37(32-8-6-5-7-31(32)33)59-25-29-15-16-45-39(21-29)50-40-24-46-34(23-47-40)42(55)48-35-26-58-27-36(35)53-17-19-57-20-18-53/h5-16,21-24,35-36H,17-20,25-27H2,1-4H3,(H,48,55)(H,45,47,50)(H2,49,51,56)/t35?,36-/m0/s1.

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-[(4R)-4-morpholin-4-yloxolan-3-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-[(4R)-4-morpholin-4-yloxolan-3-yl]pyrazine-2-carboxamide has a molecular weight of 796.93 g/mol, XLogP of 6.61, 11 rotatable bonds, 4 hydrogen bond donors, and 12 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-[(4R)-4-morpholin-4-yloxolan-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 144902057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).