1-(2-hydroxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;1-(2-methoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide

C45H36F6N12O6 — CID 158335309

IUPAC1-(2-hydroxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;1-(2-methoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide
SMILESCOCCn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)nc2)ccc1=O.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1ccc(=O)n(CCO)c1
InChIInChI=1S/C23H19F3N6O3.C22H17F3N6O3/c1-35-10-9-31-14-16(4-7-21(31)33)22(34)29-17-5-6-20(28-13-17)32-19(23(24,25)26)11-18(30-32)15-3-2-8-27-12-15;23-22(24,25)18-10-17(14-2-1-7-26-11-14)29-31(18)19-5-4-16(12-27-19)28-21(34)15-3-6-20(33)30(13-15)8-9-32/h2-8,11-14H,9-10H2,1H3,(H,29,34);1-7,10-13,32H,8-9H2,(H,28,34)
InChIKeyGQMVWIJEEOOLJZ-UHFFFAOYSA-N
MW954.85 g/mol
LogP6.16
Rot. Bonds13

About 1-(2-hydroxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;1-(2-methoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide

1-(2-hydroxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;1-(2-methoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 158335309) has the molecular formula C45H36F6N12O6 and a molecular weight of 954.85 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;1-(2-methoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;1-(2-methoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide
PubChem CID158335309
Molecular FormulaC45H36F6N12O6
Molecular Weight954.85 g/mol
Exact Mass954.28
IUPAC Name1-(2-hydroxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;1-(2-methoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide
SMILESCOCCn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)nc2)ccc1=O.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1ccc(=O)n(CCO)c1
InChIInChI=1S/C23H19F3N6O3.C22H17F3N6O3/c1-35-10-9-31-14-16(4-7-21(31)33)22(34)29-17-5-6-20(28-13-17)32-19(23(24,25)26)11-18(30-32)15-3-2-8-27-12-15;23-22(24,25)18-10-17(14-2-1-7-26-11-14)29-31(18)19-5-4-16(12-27-19)28-21(34)15-3-6-20(33)30(13-15)8-9-32/h2-8,11-14H,9-10H2,1H3,(H,29,34);1-7,10-13,32H,8-9H2,(H,28,34)
InChIKeyGQMVWIJEEOOLJZ-UHFFFAOYSA-N
XLogP6.16
TPSA218.86 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500954.85
LogP ≤ 56.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze 1-(2-hydroxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;1-(2-methoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide with MolForge

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Related Compounds

BI-1935
CID 57861407
N-[6-[5-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 75593277
2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methyl-5-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 90241337
N-[6-[3-(4-fluorophenyl)-5-[1-(3-fluoropropyl)piperidin-4-yl]-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 90241963
N-(6-(4-(4-fluorophenyl)-1-(1-(3,3,3-trifluoropropanoyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-2-morpholinoisonicotinamide
CID 90246037
2-(1,1-difluoroethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyridin-3-yl]pyridine-4-carboxamide
CID 90462677
N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyridin-3-yl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 90463625
2-(difluoromethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyridin-3-yl]pyridine-4-carboxamide
CID 90464933
N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyridin-3-yl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 117610036
2-(1,1-difluoroethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-yl]pyridine-4-carboxamide
CID 117610056
2-fluoro-N-[6-[3-(4-fluorophenyl)-5-[4-(2-hydroxyethyl)piperazin-1-yl]-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 118537127
N-[6-[3-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 118537191

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;1-(2-methoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 1-(2-hydroxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;1-(2-methoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide (CID 158335309) is 1-(2-hydroxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;1-(2-methoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;1-(2-methoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 1-(2-hydroxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;1-(2-methoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide is COCCn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)nc2)ccc1=O.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1ccc(=O)n(CCO)c1.
What is the InChIKey of 1-(2-hydroxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;1-(2-methoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is GQMVWIJEEOOLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O3.C22H17F3N6O3/c1-35-10-9-31-14-16(4-7-21(31)33)22(34)29-17-5-6-20(28-13-17)32-19(23(24,25)26)11-18(30-32)15-3-2-8-27-12-15;23-22(24,25)18-10-17(14-2-1-7-26-11-14)29-31(18)19-5-4-16(12-27-19)28-21(34)15-3-6-20(33)30(13-15)8-9-32/h2-8,11-14H,9-10H2,1H3,(H,29,34);1-7,10-13,32H,8-9H2,(H,28,34).
What are the key properties of 1-(2-hydroxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;1-(2-methoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide?
1-(2-hydroxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;1-(2-methoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 954.85 g/mol, XLogP of 6.16, 13 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;1-(2-methoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 158335309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).