N-ethyl-2-methyl-4-[[1-(oxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2,2,2-trifluoroethyl)benzamide

C23H26F3N5O3 — CID 137288711

IUPACN-ethyl-2-methyl-4-[[1-(oxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CC(F)(F)F)C(=O)c1ccc(Nc2nn(C3CCCOC3)c3cc[nH]c(=O)c23)cc1C
InChIInChI=1S/C23H26F3N5O3/c1-3-30(13-23(24,25)26)22(33)17-7-6-15(11-14(17)2)28-20-19-18(8-9-27-21(19)32)31(29-20)16-5-4-10-34-12-16/h6-9,11,16H,3-5,10,12-13H2,1-2H3,(H,27,32)(H,28,29)
InChIKeyLPMFCAUWRPXLJX-UHFFFAOYSA-N
MW477.49 g/mol
LogP4.15
Rot. Bonds6

About N-ethyl-2-methyl-4-[[1-(oxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2,2,2-trifluoroethyl)benzamide

N-ethyl-2-methyl-4-[[1-(oxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 137288711) has the molecular formula C23H26F3N5O3 and a molecular weight of 477.49 g/mol. Its IUPAC name is N-ethyl-2-methyl-4-[[1-(oxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-4-[[1-(oxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID137288711
Molecular FormulaC23H26F3N5O3
Molecular Weight477.49 g/mol
Exact Mass477.20
IUPAC NameN-ethyl-2-methyl-4-[[1-(oxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CC(F)(F)F)C(=O)c1ccc(Nc2nn(C3CCCOC3)c3cc[nH]c(=O)c23)cc1C
InChIInChI=1S/C23H26F3N5O3/c1-3-30(13-23(24,25)26)22(33)17-7-6-15(11-14(17)2)28-20-19-18(8-9-27-21(19)32)31(29-20)16-5-4-10-34-12-16/h6-9,11,16H,3-5,10,12-13H2,1-2H3,(H,27,32)(H,28,29)
InChIKeyLPMFCAUWRPXLJX-UHFFFAOYSA-N
XLogP4.15
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.49
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,2-dimethyl-4-[[1-(oxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 137288685
3-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]-1-(oxan-3-yl)-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137288546
1-[(3R)-oxan-3-yl]-3-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137288520
4-[[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-2-methyl-N-[2-(methylamino)ethyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 137310286
1-cyclohexyl-3-[3-methyl-4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137145906
3-anilino-1-[(3R)-oxan-3-yl]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 144712822
3-[4-(2,2-dimethylpyrrolidin-1-yl)sulfanylanilino]-1-(oxan-3-yl)-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137288673
1-cyclopentyl-3-[4-(2,2,2-trifluoro-1-hydroxyethyl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137145528
2-methyl-4-[[1-(oxan-3-yl)-4-phenylmethoxypyrazolo[4,3-c]pyridin-3-yl]amino]benzoic acid
CID 135162533
1-cyclohexyl-3-[4-[1-(2,2,2-trifluoroethylamino)ethyl]anilino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137163205
1-cyclohexyl-3-[[2-(oxan-4-yl)-1-oxo-3H-isoindol-5-yl]amino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137069304
1-cyclohexyl-3-[4-(1,1,1-trifluoro-2-methoxypropan-2-yl)anilino]-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137281997

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-4-[[1-(oxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of N-ethyl-2-methyl-4-[[1-(oxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2,2,2-trifluoroethyl)benzamide (CID 137288711) is N-ethyl-2-methyl-4-[[1-(oxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for N-ethyl-2-methyl-4-[[1-(oxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for N-ethyl-2-methyl-4-[[1-(oxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2,2,2-trifluoroethyl)benzamide is CCN(CC(F)(F)F)C(=O)c1ccc(Nc2nn(C3CCCOC3)c3cc[nH]c(=O)c23)cc1C.
What is the InChIKey of N-ethyl-2-methyl-4-[[1-(oxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is LPMFCAUWRPXLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N5O3/c1-3-30(13-23(24,25)26)22(33)17-7-6-15(11-14(17)2)28-20-19-18(8-9-27-21(19)32)31(29-20)16-5-4-10-34-12-16/h6-9,11,16H,3-5,10,12-13H2,1-2H3,(H,27,32)(H,28,29).
What are the key properties of N-ethyl-2-methyl-4-[[1-(oxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
N-ethyl-2-methyl-4-[[1-(oxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 477.49 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-4-[[1-(oxan-3-yl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 137288711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).