2-cyclopropyl-N-[3-[6-[2-[4-[3-ethoxy-6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyridazin-4-yl]morpholin-2-yl]ethoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide

C52H57FN10O6 — CID 130425657

IUPAC2-cyclopropyl-N-[3-[6-[2-[4-[3-ethoxy-6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyridazin-4-yl]morpholin-2-yl]ethoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide
SMILESCCOc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)ccc2C)cc1N1CCOC(CCOc2nnc(-c3cc(NC(=O)c4ccnc(C5CC5)c4)ccc3C)cc2N2CCOCC2)C1
InChIInChI=1S/C52H57FN10O6/c1-6-67-50-46(30-44(58-60-50)41-28-38(12-8-33(41)3)57-49(65)36-14-17-55-47(26-36)52(4,5)53)63-20-24-68-39(31-63)15-21-69-51-45(62-18-22-66-23-19-62)29-43(59-61-51)40-27-37(11-7-32(40)2)56-48(64)35-13-16-54-42(25-35)34-9-10-34/h7-8,11-14,16-17,25-30,34,39H,6,9-10,15,18-24,31H2,1-5H3,(H,56,64)(H,57,65)
InChIKeyWZIPPNBBPLXKAN-UHFFFAOYSA-N
MW937.09 g/mol
LogP8.50
Rot. Bonds16

About 2-cyclopropyl-N-[3-[6-[2-[4-[3-ethoxy-6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyridazin-4-yl]morpholin-2-yl]ethoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide

2-cyclopropyl-N-[3-[6-[2-[4-[3-ethoxy-6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyridazin-4-yl]morpholin-2-yl]ethoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide (PubChem CID 130425657) has the molecular formula C52H57FN10O6 and a molecular weight of 937.09 g/mol. Its IUPAC name is 2-cyclopropyl-N-[3-[6-[2-[4-[3-ethoxy-6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyridazin-4-yl]morpholin-2-yl]ethoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[3-[6-[2-[4-[3-ethoxy-6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyridazin-4-yl]morpholin-2-yl]ethoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide
PubChem CID130425657
Molecular FormulaC52H57FN10O6
Molecular Weight937.09 g/mol
Exact Mass936.44
IUPAC Name2-cyclopropyl-N-[3-[6-[2-[4-[3-ethoxy-6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyridazin-4-yl]morpholin-2-yl]ethoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide
SMILESCCOc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)ccc2C)cc1N1CCOC(CCOc2nnc(-c3cc(NC(=O)c4ccnc(C5CC5)c4)ccc3C)cc2N2CCOCC2)C1
InChIInChI=1S/C52H57FN10O6/c1-6-67-50-46(30-44(58-60-50)41-28-38(12-8-33(41)3)57-49(65)36-14-17-55-47(26-36)52(4,5)53)63-20-24-68-39(31-63)15-21-69-51-45(62-18-22-66-23-19-62)29-43(59-61-51)40-27-37(11-7-32(40)2)56-48(64)35-13-16-54-42(25-35)34-9-10-34/h7-8,11-14,16-17,25-30,34,39H,6,9-10,15,18-24,31H2,1-5H3,(H,56,64)(H,57,65)
InChIKeyWZIPPNBBPLXKAN-UHFFFAOYSA-N
XLogP8.50
TPSA178.94 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500937.09
LogP ≤ 58.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 2-cyclopropyl-N-[3-[6-[2-[4-[3-ethoxy-6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyridazin-4-yl]morpholin-2-yl]ethoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[3-[6-[2-[4-[3-ethoxy-6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyridazin-4-yl]morpholin-2-yl]ethoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[3-[6-[2-[4-[3-ethoxy-6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyridazin-4-yl]morpholin-2-yl]ethoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide (CID 130425657) is 2-cyclopropyl-N-[3-[6-[2-[4-[3-ethoxy-6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyridazin-4-yl]morpholin-2-yl]ethoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[3-[6-[2-[4-[3-ethoxy-6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyridazin-4-yl]morpholin-2-yl]ethoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[3-[6-[2-[4-[3-ethoxy-6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyridazin-4-yl]morpholin-2-yl]ethoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide is CCOc1nnc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)ccc2C)cc1N1CCOC(CCOc2nnc(-c3cc(NC(=O)c4ccnc(C5CC5)c4)ccc3C)cc2N2CCOCC2)C1.
What is the InChIKey of 2-cyclopropyl-N-[3-[6-[2-[4-[3-ethoxy-6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyridazin-4-yl]morpholin-2-yl]ethoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide?
The InChIKey is WZIPPNBBPLXKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H57FN10O6/c1-6-67-50-46(30-44(58-60-50)41-28-38(12-8-33(41)3)57-49(65)36-14-17-55-47(26-36)52(4,5)53)63-20-24-68-39(31-63)15-21-69-51-45(62-18-22-66-23-19-62)29-43(59-61-51)40-27-37(11-7-32(40)2)56-48(64)35-13-16-54-42(25-35)34-9-10-34/h7-8,11-14,16-17,25-30,34,39H,6,9-10,15,18-24,31H2,1-5H3,(H,56,64)(H,57,65).
What are the key properties of 2-cyclopropyl-N-[3-[6-[2-[4-[3-ethoxy-6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyridazin-4-yl]morpholin-2-yl]ethoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide?
2-cyclopropyl-N-[3-[6-[2-[4-[3-ethoxy-6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyridazin-4-yl]morpholin-2-yl]ethoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide has a molecular weight of 937.09 g/mol, XLogP of 8.50, 16 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[3-[6-[2-[4-[3-ethoxy-6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyridazin-4-yl]morpholin-2-yl]ethoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 130425657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).