2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-[[2-[2-morpholin-4-yl-6-[[2-[[2-[2-morpholin-4-yl-6-(oxolan-3-ylmethylamino)-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methyl]oxolan-3-yl]amino]-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methoxy]ethylamino]-4-pyridinyl]phenyl]pyridine-4-carboxamide

C80H81F8N15O9 — CID 130425807

IUPAC2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-[[2-[2-morpholin-4-yl-6-[[2-[[2-[2-morpholin-4-yl-6-(oxolan-3-ylmethylamino)-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methyl]oxolan-3-yl]amino]-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methoxy]ethylamino]-4-pyridinyl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(NCCOCc2ccc(NC(=O)c3ccnc(C(F)(F)F)c3)cc2-c2cc(NC3CCOC3Cc3ccc(NC(=O)c4ccnc(C(F)(F)F)c4)cc3-c3cc(NCC4CCOC4)nc(N4CCOCC4)c3)nc(N3CCOCC3)c2)nc(N2CCOCC2)c1
InChIInChI=1S/C80H81F8N15O9/c1-48-2-5-58(94-76(104)51-8-13-89-65(32-51)75(81)82)42-61(48)55-36-69(98-72(39-55)101-17-26-107-27-18-101)92-16-25-111-47-54-4-7-60(96-78(106)53-10-15-91-68(35-53)80(86,87)88)44-63(54)57-38-71(100-74(41-57)103-21-30-109-31-22-103)97-64-12-24-112-66(64)33-50-3-6-59(95-77(105)52-9-14-90-67(34-52)79(83,84)85)43-62(50)56-37-70(93-45-49-11-23-110-46-49)99-73(40-56)102-19-28-108-29-20-102/h2-10,13-15,32,34-44,49,64,66,75H,11-12,16-31,33,45-47H2,1H3,(H,92,98)(H,93,99)(H,94,104)(H,95,105)(H,96,106)(H,97,100)
InChIKeyLAOIGIGPFXXKDV-UHFFFAOYSA-N
MW1548.61 g/mol
LogP13.50
Rot. Bonds26

About 2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-[[2-[2-morpholin-4-yl-6-[[2-[[2-[2-morpholin-4-yl-6-(oxolan-3-ylmethylamino)-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methyl]oxolan-3-yl]amino]-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methoxy]ethylamino]-4-pyridinyl]phenyl]pyridine-4-carboxamide

2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-[[2-[2-morpholin-4-yl-6-[[2-[[2-[2-morpholin-4-yl-6-(oxolan-3-ylmethylamino)-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methyl]oxolan-3-yl]amino]-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methoxy]ethylamino]-4-pyridinyl]phenyl]pyridine-4-carboxamide (PubChem CID 130425807) has the molecular formula C80H81F8N15O9 and a molecular weight of 1548.61 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-[[2-[2-morpholin-4-yl-6-[[2-[[2-[2-morpholin-4-yl-6-(oxolan-3-ylmethylamino)-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methyl]oxolan-3-yl]amino]-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methoxy]ethylamino]-4-pyridinyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-[[2-[2-morpholin-4-yl-6-[[2-[[2-[2-morpholin-4-yl-6-(oxolan-3-ylmethylamino)-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methyl]oxolan-3-yl]amino]-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methoxy]ethylamino]-4-pyridinyl]phenyl]pyridine-4-carboxamide
PubChem CID130425807
Molecular FormulaC80H81F8N15O9
Molecular Weight1548.61 g/mol
Exact Mass1547.62
IUPAC Name2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-[[2-[2-morpholin-4-yl-6-[[2-[[2-[2-morpholin-4-yl-6-(oxolan-3-ylmethylamino)-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methyl]oxolan-3-yl]amino]-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methoxy]ethylamino]-4-pyridinyl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(NCCOCc2ccc(NC(=O)c3ccnc(C(F)(F)F)c3)cc2-c2cc(NC3CCOC3Cc3ccc(NC(=O)c4ccnc(C(F)(F)F)c4)cc3-c3cc(NCC4CCOC4)nc(N4CCOCC4)c3)nc(N3CCOCC3)c2)nc(N2CCOCC2)c1
InChIInChI=1S/C80H81F8N15O9/c1-48-2-5-58(94-76(104)51-8-13-89-65(32-51)75(81)82)42-61(48)55-36-69(98-72(39-55)101-17-26-107-27-18-101)92-16-25-111-47-54-4-7-60(96-78(106)53-10-15-91-68(35-53)80(86,87)88)44-63(54)57-38-71(100-74(41-57)103-21-30-109-31-22-103)97-64-12-24-112-66(64)33-50-3-6-59(95-77(105)52-9-14-90-67(34-52)79(83,84)85)43-62(50)56-37-70(93-45-49-11-23-110-46-49)99-73(40-56)102-19-28-108-29-20-102/h2-10,13-15,32,34-44,49,64,66,75H,11-12,16-31,33,45-47H2,1H3,(H,92,98)(H,93,99)(H,94,104)(H,95,105)(H,96,106)(H,97,100)
InChIKeyLAOIGIGPFXXKDV-UHFFFAOYSA-N
XLogP13.50
TPSA265.83 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds26
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001548.61
LogP ≤ 513.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-[[2-[2-morpholin-4-yl-6-[[2-[[2-[2-morpholin-4-yl-6-(oxolan-3-ylmethylamino)-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methyl]oxolan-3-yl]amino]-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methoxy]ethylamino]-4-pyridinyl]phenyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-[[2-[2-morpholin-4-yl-6-[[2-[[2-[2-morpholin-4-yl-6-(oxolan-3-ylmethylamino)-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methyl]oxolan-3-yl]amino]-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methoxy]ethylamino]-4-pyridinyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-[[2-[2-morpholin-4-yl-6-[[2-[[2-[2-morpholin-4-yl-6-(oxolan-3-ylmethylamino)-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methyl]oxolan-3-yl]amino]-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methoxy]ethylamino]-4-pyridinyl]phenyl]pyridine-4-carboxamide (CID 130425807) is 2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-[[2-[2-morpholin-4-yl-6-[[2-[[2-[2-morpholin-4-yl-6-(oxolan-3-ylmethylamino)-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methyl]oxolan-3-yl]amino]-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methoxy]ethylamino]-4-pyridinyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-[[2-[2-morpholin-4-yl-6-[[2-[[2-[2-morpholin-4-yl-6-(oxolan-3-ylmethylamino)-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methyl]oxolan-3-yl]amino]-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methoxy]ethylamino]-4-pyridinyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-[[2-[2-morpholin-4-yl-6-[[2-[[2-[2-morpholin-4-yl-6-(oxolan-3-ylmethylamino)-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methyl]oxolan-3-yl]amino]-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methoxy]ethylamino]-4-pyridinyl]phenyl]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(NCCOCc2ccc(NC(=O)c3ccnc(C(F)(F)F)c3)cc2-c2cc(NC3CCOC3Cc3ccc(NC(=O)c4ccnc(C(F)(F)F)c4)cc3-c3cc(NCC4CCOC4)nc(N4CCOCC4)c3)nc(N3CCOCC3)c2)nc(N2CCOCC2)c1.
What is the InChIKey of 2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-[[2-[2-morpholin-4-yl-6-[[2-[[2-[2-morpholin-4-yl-6-(oxolan-3-ylmethylamino)-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methyl]oxolan-3-yl]amino]-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methoxy]ethylamino]-4-pyridinyl]phenyl]pyridine-4-carboxamide?
The InChIKey is LAOIGIGPFXXKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H81F8N15O9/c1-48-2-5-58(94-76(104)51-8-13-89-65(32-51)75(81)82)42-61(48)55-36-69(98-72(39-55)101-17-26-107-27-18-101)92-16-25-111-47-54-4-7-60(96-78(106)53-10-15-91-68(35-53)80(86,87)88)44-63(54)57-38-71(100-74(41-57)103-21-30-109-31-22-103)97-64-12-24-112-66(64)33-50-3-6-59(95-77(105)52-9-14-90-67(34-52)79(83,84)85)43-62(50)56-37-70(93-45-49-11-23-110-46-49)99-73(40-56)102-19-28-108-29-20-102/h2-10,13-15,32,34-44,49,64,66,75H,11-12,16-31,33,45-47H2,1H3,(H,92,98)(H,93,99)(H,94,104)(H,95,105)(H,96,106)(H,97,100).
What are the key properties of 2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-[[2-[2-morpholin-4-yl-6-[[2-[[2-[2-morpholin-4-yl-6-(oxolan-3-ylmethylamino)-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methyl]oxolan-3-yl]amino]-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methoxy]ethylamino]-4-pyridinyl]phenyl]pyridine-4-carboxamide?
2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-[[2-[2-morpholin-4-yl-6-[[2-[[2-[2-morpholin-4-yl-6-(oxolan-3-ylmethylamino)-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methyl]oxolan-3-yl]amino]-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methoxy]ethylamino]-4-pyridinyl]phenyl]pyridine-4-carboxamide has a molecular weight of 1548.61 g/mol, XLogP of 13.50, 26 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-[[2-[2-morpholin-4-yl-6-[[2-[[2-[2-morpholin-4-yl-6-(oxolan-3-ylmethylamino)-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methyl]oxolan-3-yl]amino]-4-pyridinyl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]methoxy]ethylamino]-4-pyridinyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 130425807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).