4-[(1-ethyl-7-methoxyindazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide

C22H22FN7O2 — CID 171437051

IUPAC4-[(1-ethyl-7-methoxyindazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccc2cnn(CC)c2c1OC
InChIInChI=1S/C22H22FN7O2/c1-4-30-20-13(10-27-30)5-7-16(21(20)32-3)28-17-9-19(26-12-15(17)22(31)24-2)29-18-8-6-14(23)11-25-18/h5-12H,4H2,1-3H3,(H,24,31)(H2,25,26,28,29)/i2D3
InChIKeyXFOOBGHVVZNYHX-BMSJAHLVSA-N
MW438.48 g/mol
LogP3.84
Rot. Bonds8

About 4-[(1-ethyl-7-methoxyindazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide

4-[(1-ethyl-7-methoxyindazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide (PubChem CID 171437051) has the molecular formula C22H22FN7O2 and a molecular weight of 438.48 g/mol. Its IUPAC name is 4-[(1-ethyl-7-methoxyindazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(1-ethyl-7-methoxyindazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
PubChem CID171437051
Molecular FormulaC22H22FN7O2
Molecular Weight438.48 g/mol
Exact Mass438.20
IUPAC Name4-[(1-ethyl-7-methoxyindazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccc2cnn(CC)c2c1OC
InChIInChI=1S/C22H22FN7O2/c1-4-30-20-13(10-27-30)5-7-16(21(20)32-3)28-17-9-19(26-12-15(17)22(31)24-2)29-18-8-6-14(23)11-25-18/h5-12H,4H2,1-3H3,(H,24,31)(H2,25,26,28,29)/i2D3
InChIKeyXFOOBGHVVZNYHX-BMSJAHLVSA-N
XLogP3.84
TPSA105.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-[(1-ethyl-7-methoxypyrazolo[4,3-c]pyridin-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171437094
6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171437156
4-[[2-[(5-fluoro-2-pyridinyl)amino]-5-(methylcarbamoyl)-4-pyridinyl]amino]-3-methoxybenzoic acid
CID 90154018
6-[(5-cyano-1-methylpyrazol-3-yl)amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 166492849
4-[(3-cyano-4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-6-[(1-methylpyrazol-3-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171436785
6-[(5-fluoro-2-pyridinyl)amino]-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 164944290
6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfanylanilino)pyridine-3-carboxamide
CID 155534361
4-[(1,5-dimethyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 171437161
4-[(5-ethyl-1,7-dimethyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[(5-methyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171437434
6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]pyridine-3-carboxylic acid
CID 171437221
4-[[3-(1-cyanoethyl)-4-methoxypyrazolo[1,5-a]pyridin-5-yl]amino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171437592
3,3,3-trideuterio-1-[4-[3-[5-[[dimethyl(oxo)-λ6-sulfanylidene]amino]pyrazin-2-yl]-2-methoxyanilino]-6-[(5-fluoro-2-pyridinyl)amino]-3-pyridinyl]propan-1-one
CID 172503297

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethyl-7-methoxyindazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?
The IUPAC name of 4-[(1-ethyl-7-methoxyindazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide (CID 171437051) is 4-[(1-ethyl-7-methoxyindazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[(1-ethyl-7-methoxyindazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-[(1-ethyl-7-methoxyindazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccc2cnn(CC)c2c1OC.
What is the InChIKey of 4-[(1-ethyl-7-methoxyindazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?
The InChIKey is XFOOBGHVVZNYHX-BMSJAHLVSA-N. The full InChI is InChI=1S/C22H22FN7O2/c1-4-30-20-13(10-27-30)5-7-16(21(20)32-3)28-17-9-19(26-12-15(17)22(31)24-2)29-18-8-6-14(23)11-25-18/h5-12H,4H2,1-3H3,(H,24,31)(H2,25,26,28,29)/i2D3.
What are the key properties of 4-[(1-ethyl-7-methoxyindazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?
4-[(1-ethyl-7-methoxyindazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide has a molecular weight of 438.48 g/mol, XLogP of 3.84, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethyl-7-methoxyindazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide is sourced from PubChem (CID 171437051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).