N-[6-(3,3-diethylazetidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-(6-methoxy-2-pyridinyl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C48H45F6N11O4 — CID 144734908

IUPACN-[6-(3,3-diethylazetidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-(6-methoxy-2-pyridinyl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC.CCC1(CC)CN(c2cccc(NC(=O)c3cnc4ccc(-c5ccccc5C(F)(F)F)nn34)n2)C1.COc1cccc(NC(=O)c2cnn3ccc(-c4ccccc4OC(F)(F)F)nc23)n1
InChIInChI=1S/C26H25F3N6O.C20H14F3N5O3.C2H6/c1-3-25(4-2)15-34(16-25)23-11-7-10-21(31-23)32-24(36)20-14-30-22-13-12-19(33-35(20)22)17-8-5-6-9-18(17)26(27,28)29;1-30-17-8-4-7-16(26-17)27-19(29)13-11-24-28-10-9-14(25-18(13)28)12-5-2-3-6-15(12)31-20(21,22)23;1-2/h5-14H,3-4,15-16H2,1-2H3,(H,31,32,36);2-11H,1H3,(H,26,27,29);1-2H3
InChIKeyOUQWKWHMYWEHFN-UHFFFAOYSA-N
MW953.95 g/mol
LogP10.67
Rot. Bonds11

About N-[6-(3,3-diethylazetidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-(6-methoxy-2-pyridinyl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[6-(3,3-diethylazetidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-(6-methoxy-2-pyridinyl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 144734908) has the molecular formula C48H45F6N11O4 and a molecular weight of 953.95 g/mol. Its IUPAC name is N-[6-(3,3-diethylazetidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-(6-methoxy-2-pyridinyl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(3,3-diethylazetidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-(6-methoxy-2-pyridinyl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID144734908
Molecular FormulaC48H45F6N11O4
Molecular Weight953.95 g/mol
Exact Mass953.36
IUPAC NameN-[6-(3,3-diethylazetidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-(6-methoxy-2-pyridinyl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC.CCC1(CC)CN(c2cccc(NC(=O)c3cnc4ccc(-c5ccccc5C(F)(F)F)nn34)n2)C1.COc1cccc(NC(=O)c2cnn3ccc(-c4ccccc4OC(F)(F)F)nc23)n1
InChIInChI=1S/C26H25F3N6O.C20H14F3N5O3.C2H6/c1-3-25(4-2)15-34(16-25)23-11-7-10-21(31-23)32-24(36)20-14-30-22-13-12-19(33-35(20)22)17-8-5-6-9-18(17)26(27,28)29;1-30-17-8-4-7-16(26-17)27-19(29)13-11-24-28-10-9-14(25-18(13)28)12-5-2-3-6-15(12)31-20(21,22)23;1-2/h5-14H,3-4,15-16H2,1-2H3,(H,31,32,36);2-11H,1H3,(H,26,27,29);1-2H3
InChIKeyOUQWKWHMYWEHFN-UHFFFAOYSA-N
XLogP10.67
TPSA166.06 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500953.95
LogP ≤ 510.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

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

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Related Compounds

4-(azetidine-1-carbonyl)-N-[2-[2-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 165414866
N-[1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522314
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-[2-cyclohexylethyl(methyl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522350
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoethyl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522351
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-[(methylcarbamoyl)methyl]piperazin-1-yl]-2-oxoethyl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522369
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-(4-methyl-2-oxopiperazin-1-yl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522428
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-[methyl(2,2,2-trifluoroethyl)amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522439

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,3-diethylazetidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-(6-methoxy-2-pyridinyl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[6-(3,3-diethylazetidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-(6-methoxy-2-pyridinyl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 144734908) is N-[6-(3,3-diethylazetidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-(6-methoxy-2-pyridinyl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[6-(3,3-diethylazetidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-(6-methoxy-2-pyridinyl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[6-(3,3-diethylazetidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-(6-methoxy-2-pyridinyl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC.CCC1(CC)CN(c2cccc(NC(=O)c3cnc4ccc(-c5ccccc5C(F)(F)F)nn34)n2)C1.COc1cccc(NC(=O)c2cnn3ccc(-c4ccccc4OC(F)(F)F)nc23)n1.
What is the InChIKey of N-[6-(3,3-diethylazetidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-(6-methoxy-2-pyridinyl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OUQWKWHMYWEHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O.C20H14F3N5O3.C2H6/c1-3-25(4-2)15-34(16-25)23-11-7-10-21(31-23)32-24(36)20-14-30-22-13-12-19(33-35(20)22)17-8-5-6-9-18(17)26(27,28)29;1-30-17-8-4-7-16(26-17)27-19(29)13-11-24-28-10-9-14(25-18(13)28)12-5-2-3-6-15(12)31-20(21,22)23;1-2/h5-14H,3-4,15-16H2,1-2H3,(H,31,32,36);2-11H,1H3,(H,26,27,29);1-2H3.
What are the key properties of N-[6-(3,3-diethylazetidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-(6-methoxy-2-pyridinyl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[6-(3,3-diethylazetidin-1-yl)-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-(6-methoxy-2-pyridinyl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 953.95 g/mol, XLogP of 10.67, 11 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]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide;ethane;N-(6-methoxy-2-pyridinyl)-5-[2-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 144734908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).