N-[6-(3,3-diethylazetidin-1-yl)-2-pyridinyl]-8-[[6-[[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]oxymethyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

C46H37F6N11O4 — CID 123391333

IUPACN-[6-(3,3-diethylazetidin-1-yl)-2-pyridinyl]-8-[[6-[[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]oxymethyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCCC1(CC)CN(c2cccc(NC(=O)c3cnc4c(COc5cccc(NC(=O)c6cnn7ccc(-c8ccccc8OC(F)(F)F)nc67)n5)cc(-c5ccccc5C(F)(F)F)nn34)n2)C1
InChIInChI=1S/C46H37F6N11O4/c1-3-44(4-2)25-61(26-44)38-17-9-15-36(56-38)59-43(65)34-23-53-40-27(21-33(60-63(34)40)28-11-5-7-13-31(28)45(47,48)49)24-66-39-18-10-16-37(57-39)58-42(64)30-22-54-62-20-19-32(55-41(30)62)29-12-6-8-14-35(29)67-46(50,51)52/h5-23H,3-4,24-26H2,1-2H3,(H,56,59,65)(H,57,58,64)
InChIKeyQYMNICHTIQCNHB-UHFFFAOYSA-N
MW921.86 g/mol
LogP9.52
Rot. Bonds13

About N-[6-(3,3-diethylazetidin-1-yl)-2-pyridinyl]-8-[[6-[[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]oxymethyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

N-[6-(3,3-diethylazetidin-1-yl)-2-pyridinyl]-8-[[6-[[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]oxymethyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 123391333) has the molecular formula C46H37F6N11O4 and a molecular weight of 921.86 g/mol. Its IUPAC name is N-[6-(3,3-diethylazetidin-1-yl)-2-pyridinyl]-8-[[6-[[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]oxymethyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(3,3-diethylazetidin-1-yl)-2-pyridinyl]-8-[[6-[[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]oxymethyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID123391333
Molecular FormulaC46H37F6N11O4
Molecular Weight921.86 g/mol
Exact Mass921.29
IUPAC NameN-[6-(3,3-diethylazetidin-1-yl)-2-pyridinyl]-8-[[6-[[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]oxymethyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCCC1(CC)CN(c2cccc(NC(=O)c3cnc4c(COc5cccc(NC(=O)c6cnn7ccc(-c8ccccc8OC(F)(F)F)nc67)n5)cc(-c5ccccc5C(F)(F)F)nn34)n2)C1
InChIInChI=1S/C46H37F6N11O4/c1-3-44(4-2)25-61(26-44)38-17-9-15-36(56-38)59-43(65)34-23-53-40-27(21-33(60-63(34)40)28-11-5-7-13-31(28)45(47,48)49)24-66-39-18-10-16-37(57-39)58-42(64)30-22-54-62-20-19-32(55-41(30)62)29-12-6-8-14-35(29)67-46(50,51)52/h5-23H,3-4,24-26H2,1-2H3,(H,56,59,65)(H,57,58,64)
InChIKeyQYMNICHTIQCNHB-UHFFFAOYSA-N
XLogP9.52
TPSA166.06 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500921.86
LogP ≤ 59.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze N-[6-(3,3-diethylazetidin-1-yl)-2-pyridinyl]-8-[[6-[[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]oxymethyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide with MolForge

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Related Compounds

N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522317
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[(3-methyloxetan-3-yl)methyl-(3,3,3-trifluoropropyl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522357
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[methyl(2-phenoxyethyl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522381
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[2-(4-chlorophenoxy)ethyl-methylamino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522391
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[methyl-[(3-methyloxetan-3-yl)methyl]amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522395
Benzyl 4-[[8-[2-[3-[5-chloro-2-(difluoromethoxy)phenyl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetyl]-2,8-diazaspiro[4.5]decan-2-yl]methyl]piperidine-1-carboxylate
CID 118522416
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[(dimethylamino)methyl]-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522436
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]methyl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522499
N-[1-[2-[4-[(4-tert-butylphenyl)methyl-methylamino]piperidin-1-yl]-2-oxoethyl]-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522507
Ethyl 1-[2-[4-[2-[3-[5-chloro-2-(difluoromethoxy)phenyl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetyl]piperazin-1-yl]ethyl]-4-methylpiperidine-4-carboxylate
CID 118522723
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522798
(1-methylpiperidin-4-yl)methyl 1-(2-[3-[5-chloro-2-(difluoromethoxy)phenyl]-4-[pyrazolo[1,5-a]pyrimidine-3-amido]-1H-pyrazol-1-yl]acetyl)-4-methylpiperidine-4-carboxylate
CID 118522874

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,3-diethylazetidin-1-yl)-2-pyridinyl]-8-[[6-[[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]oxymethyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-[6-(3,3-diethylazetidin-1-yl)-2-pyridinyl]-8-[[6-[[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]oxymethyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 123391333) is N-[6-(3,3-diethylazetidin-1-yl)-2-pyridinyl]-8-[[6-[[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]oxymethyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-[6-(3,3-diethylazetidin-1-yl)-2-pyridinyl]-8-[[6-[[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]oxymethyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-[6-(3,3-diethylazetidin-1-yl)-2-pyridinyl]-8-[[6-[[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]oxymethyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is CCC1(CC)CN(c2cccc(NC(=O)c3cnc4c(COc5cccc(NC(=O)c6cnn7ccc(-c8ccccc8OC(F)(F)F)nc67)n5)cc(-c5ccccc5C(F)(F)F)nn34)n2)C1.
What is the InChIKey of N-[6-(3,3-diethylazetidin-1-yl)-2-pyridinyl]-8-[[6-[[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]oxymethyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is QYMNICHTIQCNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H37F6N11O4/c1-3-44(4-2)25-61(26-44)38-17-9-15-36(56-38)59-43(65)34-23-53-40-27(21-33(60-63(34)40)28-11-5-7-13-31(28)45(47,48)49)24-66-39-18-10-16-37(57-39)58-42(64)30-22-54-62-20-19-32(55-41(30)62)29-12-6-8-14-35(29)67-46(50,51)52/h5-23H,3-4,24-26H2,1-2H3,(H,56,59,65)(H,57,58,64).
What are the key properties of N-[6-(3,3-diethylazetidin-1-yl)-2-pyridinyl]-8-[[6-[[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]oxymethyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
N-[6-(3,3-diethylazetidin-1-yl)-2-pyridinyl]-8-[[6-[[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]oxymethyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 921.86 g/mol, XLogP of 9.52, 13 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,3-diethylazetidin-1-yl)-2-pyridinyl]-8-[[6-[[5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]oxymethyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 123391333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).