6-[2-[5-[4-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]-1,2-dihydropyridin-2-yl]-2-pyridinyl]morpholin-4-yl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide

C48H35F6N15O3 — CID 143484303

IUPAC6-[2-[5-[4-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]-1,2-dihydropyridin-2-yl]-2-pyridinyl]morpholin-4-yl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)C1=CC(c2ccc(C3CN(c4ccc(C(=O)Nc5ccc(-n6nc(-c7cccnc7)cc6C(F)(F)F)cn5)cn4)CCO3)nc2)NC=C1
InChIInChI=1S/C48H35F6N15O3/c49-47(50,51)39-20-36(29-3-1-14-55-22-29)65-68(39)33-7-9-41(59-26-33)61-46(71)32-6-11-43(60-25-32)67-17-18-72-38(27-67)34-8-5-31(24-58-34)35-19-28(13-16-57-35)45(70)62-42-10-12-44(64-63-42)69-40(48(52,53)54)21-37(66-69)30-4-2-15-56-23-30/h1-16,19-26,35,38,57H,17-18,27H2,(H,59,61,71)(H,62,63,70)
InChIKeyDFNBAFFUUGIQIE-UHFFFAOYSA-N
MW983.90 g/mol
LogP7.75
Rot. Bonds11

About 6-[2-[5-[4-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]-1,2-dihydropyridin-2-yl]-2-pyridinyl]morpholin-4-yl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide

6-[2-[5-[4-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]-1,2-dihydropyridin-2-yl]-2-pyridinyl]morpholin-4-yl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 143484303) has the molecular formula C48H35F6N15O3 and a molecular weight of 983.90 g/mol. Its IUPAC name is 6-[2-[5-[4-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]-1,2-dihydropyridin-2-yl]-2-pyridinyl]morpholin-4-yl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-[5-[4-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]-1,2-dihydropyridin-2-yl]-2-pyridinyl]morpholin-4-yl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide
PubChem CID143484303
Molecular FormulaC48H35F6N15O3
Molecular Weight983.90 g/mol
Exact Mass983.30
IUPAC Name6-[2-[5-[4-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]-1,2-dihydropyridin-2-yl]-2-pyridinyl]morpholin-4-yl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)C1=CC(c2ccc(C3CN(c4ccc(C(=O)Nc5ccc(-n6nc(-c7cccnc7)cc6C(F)(F)F)cn5)cn4)CCO3)nc2)NC=C1
InChIInChI=1S/C48H35F6N15O3/c49-47(50,51)39-20-36(29-3-1-14-55-22-29)65-68(39)33-7-9-41(59-26-33)61-46(71)32-6-11-43(60-25-32)67-17-18-72-38(27-67)34-8-5-31(24-58-34)35-19-28(13-16-57-35)45(70)62-42-10-12-44(64-63-42)69-40(48(52,53)54)21-37(66-69)30-4-2-15-56-23-30/h1-16,19-26,35,38,57H,17-18,27H2,(H,59,61,71)(H,62,63,70)
InChIKeyDFNBAFFUUGIQIE-UHFFFAOYSA-N
XLogP7.75
TPSA208.57 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500983.90
LogP ≤ 57.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze 6-[2-[5-[4-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]-1,2-dihydropyridin-2-yl]-2-pyridinyl]morpholin-4-yl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide with MolForge

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Related Compounds

US10125118, Example 204
CID 126644445
US10125118, Example 148
CID 126644489
US10125118, Example 203
CID 126644575
US11618753, Example 1720
CID 139349050
6-morpholin-4-yl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide
CID 57861537
2-(2-Morpholin-4-yl-ethylamino)-N-[6-(3-pyridin-3-yl-5-trifluoromethyl-pyrazol-1-yl)-pyridin-3-yl]-nicotinamide
CID 57861586
6-morpholin-4-yl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-yl]pyridine-3-carboxamide
CID 57861670
2-[ethyl(morpholin-4-yl)amino]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide
CID 91115908
2-fluoro-N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 118608309
N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-3-ylpyridine-4-carboxamide
CID 118616428
2-amino-N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 118616430
2,6-difluoro-N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 118616443

Frequently Asked Questions

What is the IUPAC name of 6-[2-[5-[4-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]-1,2-dihydropyridin-2-yl]-2-pyridinyl]morpholin-4-yl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 6-[2-[5-[4-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]-1,2-dihydropyridin-2-yl]-2-pyridinyl]morpholin-4-yl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide (CID 143484303) is 6-[2-[5-[4-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]-1,2-dihydropyridin-2-yl]-2-pyridinyl]morpholin-4-yl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-[5-[4-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]-1,2-dihydropyridin-2-yl]-2-pyridinyl]morpholin-4-yl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-[5-[4-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]-1,2-dihydropyridin-2-yl]-2-pyridinyl]morpholin-4-yl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide is O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)C1=CC(c2ccc(C3CN(c4ccc(C(=O)Nc5ccc(-n6nc(-c7cccnc7)cc6C(F)(F)F)cn5)cn4)CCO3)nc2)NC=C1.
What is the InChIKey of 6-[2-[5-[4-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]-1,2-dihydropyridin-2-yl]-2-pyridinyl]morpholin-4-yl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is DFNBAFFUUGIQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35F6N15O3/c49-47(50,51)39-20-36(29-3-1-14-55-22-29)65-68(39)33-7-9-41(59-26-33)61-46(71)32-6-11-43(60-25-32)67-17-18-72-38(27-67)34-8-5-31(24-58-34)35-19-28(13-16-57-35)45(70)62-42-10-12-44(64-63-42)69-40(48(52,53)54)21-37(66-69)30-4-2-15-56-23-30/h1-16,19-26,35,38,57H,17-18,27H2,(H,59,61,71)(H,62,63,70).
What are the key properties of 6-[2-[5-[4-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]-1,2-dihydropyridin-2-yl]-2-pyridinyl]morpholin-4-yl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide?
6-[2-[5-[4-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]-1,2-dihydropyridin-2-yl]-2-pyridinyl]morpholin-4-yl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 983.90 g/mol, XLogP of 7.75, 11 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[5-[4-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]-1,2-dihydropyridin-2-yl]-2-pyridinyl]morpholin-4-yl]-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 143484303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).