4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide

C21H23FN6O3 — CID 171436853

IUPAC4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)[C@@H]2C[C@H]2F)cc1Nc1cn(C)c2ccn(CC)c(=O)c12
InChIInChI=1S/C21H23FN6O3/c1-4-28-6-5-16-18(21(28)31)15(10-27(16)3)25-14-8-17(24-9-12(14)19(29)23-2)26-20(30)11-7-13(11)22/h5-6,8-11,13H,4,7H2,1-3H3,(H,23,29)(H2,24,25,26,30)/t11-,13-/m1/s1/i2D3
InChIKeyGPHXBIKKVWPEIT-KLCCFTAXSA-N
MW429.47 g/mol
LogP2.15
Rot. Bonds7

About 4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide

4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide (PubChem CID 171436853) has the molecular formula C21H23FN6O3 and a molecular weight of 429.47 g/mol. Its IUPAC name is 4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
PubChem CID171436853
Molecular FormulaC21H23FN6O3
Molecular Weight429.47 g/mol
Exact Mass429.20
IUPAC Name4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)[C@@H]2C[C@H]2F)cc1Nc1cn(C)c2ccn(CC)c(=O)c12
InChIInChI=1S/C21H23FN6O3/c1-4-28-6-5-16-18(21(28)31)15(10-27(16)3)25-14-8-17(24-9-12(14)19(29)23-2)26-20(30)11-7-13(11)22/h5-6,8-11,13H,4,7H2,1-3H3,(H,23,29)(H2,24,25,26,30)/t11-,13-/m1/s1/i2D3
InChIKeyGPHXBIKKVWPEIT-KLCCFTAXSA-N
XLogP2.15
TPSA110.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

6-(cyclopropanecarbonylamino)-4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 171437618
6-chloro-4-[[1-methyl-4-oxo-5-(2,2,2-trifluoroethyl)pyrrolo[3,2-c]pyridin-3-yl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171436807
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-[[7-methyl-4-oxo-3-[(2S)-1,1,1-trifluoropropan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171437515
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
6-(cyclopropanecarbonylamino)-4-[[3-[(2S)-3,3-dimethylbutan-2-yl]-7-methyl-4-oxopyrrolo[2,3-d]pyrimidin-5-yl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171437147
6-(cyclopropanecarbonylamino)-4-[[5-[(2,2-difluorocyclopropyl)methyl]-4-oxothieno[2,3-d]pyridazin-3-yl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171437300
6-(cyclopropanecarbonylamino)-4-[(1-ethyl-7-methoxypyrazolo[4,3-b]pyridin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171437156
6-(cyclopropanecarbonylamino)-4-[(2-ethyl-3,5-dimethyl-4-oxopyrrolo[3,2-d]pyrimidin-7-yl)amino]-N-methylpyridine-3-carboxamide
CID 171437069
6-(cyclopropanecarbonylamino)-4-[[8-fluoro-5-methyl-2-(trideuteriomethyl)-4H-pyrazolo[4,3-c]quinolin-6-yl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 164944400
2-fluoro-N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(4R)-2,4,5-trimethyl-1-oxo-4H-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]amino]-2-pyridinyl]cyclopropane-1-carboxamide
CID 175973858
6-(cyclopropanecarbonylamino)-4-[(2,5-dimethyl-4H-triazolo[4,5-c]quinolin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 164902968

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?
The IUPAC name of 4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide (CID 171436853) is 4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)[C@@H]2C[C@H]2F)cc1Nc1cn(C)c2ccn(CC)c(=O)c12.
What is the InChIKey of 4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?
The InChIKey is GPHXBIKKVWPEIT-KLCCFTAXSA-N. The full InChI is InChI=1S/C21H23FN6O3/c1-4-28-6-5-16-18(21(28)31)15(10-27(16)3)25-14-8-17(24-9-12(14)19(29)23-2)26-20(30)11-7-13(11)22/h5-6,8-11,13H,4,7H2,1-3H3,(H,23,29)(H2,24,25,26,30)/t11-,13-/m1/s1/i2D3.
What are the key properties of 4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?
4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide has a molecular weight of 429.47 g/mol, XLogP of 2.15, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-1-methyl-4-oxopyrrolo[3,2-c]pyridin-3-yl)amino]-6-[[(1S,2R)-2-fluorocyclopropanecarbonyl]amino]-N-(trideuteriomethyl)pyridine-3-carboxamide is sourced from PubChem (CID 171436853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).