N-[5-[5-[2-[[6-[5-[[2-(1,1-difluoropropyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-4-morpholin-4-ylpyridazin-3-yl]oxymethyl]morpholin-4-yl]-6-methoxypyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide

C48H51F3N12O6 — CID 130425800

About N-[5-[5-[2-[[6-[5-[[2-(1,1-difluoropropyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-4-morpholin-4-ylpyridazin-3-yl]oxymethyl]morpholin-4-yl]-6-methoxypyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide

N-[5-[5-[2-[[6-[5-[[2-(1,1-difluoropropyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-4-morpholin-4-ylpyridazin-3-yl]oxymethyl]morpholin-4-yl]-6-methoxypyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide (PubChem CID 130425800) has the molecular formula C48H51F3N12O6 and a molecular weight of 949.01 g/mol. Its IUPAC name is N-[5-[5-[2-[[6-[5-[[2-(1,1-difluoropropyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-4-morpholin-4-ylpyridazin-3-yl]oxymethyl]morpholin-4-yl]-6-methoxypyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-[5-[2-[[6-[5-[[2-(1,1-difluoropropyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-4-morpholin-4-ylpyridazin-3-yl]oxymethyl]morpholin-4-yl]-6-methoxypyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
• PubChem CID: 130425800
• Molecular Formula: C48H51F3N12O6
• Molecular Weight: 949.01 g/mol
• Exact Mass: 948.40
• IUPAC Name: N-[5-[5-[2-[[6-[5-[[2-(1,1-difluoropropyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-4-morpholin-4-ylpyridazin-3-yl]oxymethyl]morpholin-4-yl]-6-methoxypyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
• SMILES: CCC(F)(F)c1cc(C(=O)Nc2cnc(C)c(-c3cc(N4CCOCC4)c(OCC4CN(c5cc(-c6cc(NC(=O)c7ccnc(C(C)(C)F)c7)cnc6C)nnc5OC)CCO4)nn3)c2)ccn1
• InChI: InChI=1S/C48H51F3N12O6/c1-7-48(50,51)42-19-31(9-11-53-42)44(65)57-33-21-36(29(3)55-25-33)38-23-40(62-12-15-67-16-13-62)46(61-59-38)69-27-34-26-63(14-17-68-34)39-22-37(58-60-45(39)66-6)35-20-32(24-54-28(35)2)56-43(64)30-8-10-52-41(18-30)47(4,5)49/h8-11,18-25,34H,7,12-17,26-27H2,1-6H3,(H,56,64)(H,57,65)
• InChIKey: IKFFOLFNZMITNY-UHFFFAOYSA-N
• XLogP: 7.14
• TPSA: 204.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	949.01
LogP ≤ 5	7.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[2-[[6-[5-[[2-(1,1-difluoropropyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-4-morpholin-4-ylpyridazin-3-yl]oxymethyl]morpholin-4-yl]-6-methoxypyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?

The IUPAC name of N-[5-[5-[2-[[6-[5-[[2-(1,1-difluoropropyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-4-morpholin-4-ylpyridazin-3-yl]oxymethyl]morpholin-4-yl]-6-methoxypyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide (CID 130425800) is N-[5-[5-[2-[[6-[5-[[2-(1,1-difluoropropyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-4-morpholin-4-ylpyridazin-3-yl]oxymethyl]morpholin-4-yl]-6-methoxypyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide.

What is the SMILES notation for N-[5-[5-[2-[[6-[5-[[2-(1,1-difluoropropyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-4-morpholin-4-ylpyridazin-3-yl]oxymethyl]morpholin-4-yl]-6-methoxypyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?

The canonical SMILES for N-[5-[5-[2-[[6-[5-[[2-(1,1-difluoropropyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-4-morpholin-4-ylpyridazin-3-yl]oxymethyl]morpholin-4-yl]-6-methoxypyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide is CCC(F)(F)c1cc(C(=O)Nc2cnc(C)c(-c3cc(N4CCOCC4)c(OCC4CN(c5cc(-c6cc(NC(=O)c7ccnc(C(C)(C)F)c7)cnc6C)nnc5OC)CCO4)nn3)c2)ccn1.

What is the InChIKey of N-[5-[5-[2-[[6-[5-[[2-(1,1-difluoropropyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-4-morpholin-4-ylpyridazin-3-yl]oxymethyl]morpholin-4-yl]-6-methoxypyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?

The InChIKey is IKFFOLFNZMITNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H51F3N12O6/c1-7-48(50,51)42-19-31(9-11-53-42)44(65)57-33-21-36(29(3)55-25-33)38-23-40(62-12-15-67-16-13-62)46(61-59-38)69-27-34-26-63(14-17-68-34)39-22-37(58-60-45(39)66-6)35-20-32(24-54-28(35)2)56-43(64)30-8-10-52-41(18-30)47(4,5)49/h8-11,18-25,34H,7,12-17,26-27H2,1-6H3,(H,56,64)(H,57,65).

What are the key properties of N-[5-[5-[2-[[6-[5-[[2-(1,1-difluoropropyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-4-morpholin-4-ylpyridazin-3-yl]oxymethyl]morpholin-4-yl]-6-methoxypyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?

N-[5-[5-[2-[[6-[5-[[2-(1,1-difluoropropyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-4-morpholin-4-ylpyridazin-3-yl]oxymethyl]morpholin-4-yl]-6-methoxypyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide has a molecular weight of 949.01 g/mol, XLogP of 7.14, 15 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-[2-[[6-[5-[[2-(1,1-difluoropropyl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-4-morpholin-4-ylpyridazin-3-yl]oxymethyl]morpholin-4-yl]-6-methoxypyridazin-3-yl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 130425800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).