6-[(5-fluoro-2-pyridinyl)amino]-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide

C23H20FN7O2 — CID 164944290

IUPAC6-[(5-fluoro-2-pyridinyl)amino]-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1cccc2c1OCc1cn(C)nc1-2
InChIInChI=1S/C23H20FN7O2/c1-25-23(32)16-10-27-20(29-19-7-6-14(24)9-26-19)8-18(16)28-17-5-3-4-15-21-13(11-31(2)30-21)12-33-22(15)17/h3-11H,12H2,1-2H3,(H,25,32)(H2,26,27,28,29)/i1D3
InChIKeyRERQYWAIMBOGDQ-FIBGUPNXSA-N
MW448.48 g/mol
LogP3.76
Rot. Bonds6

About 6-[(5-fluoro-2-pyridinyl)amino]-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide

6-[(5-fluoro-2-pyridinyl)amino]-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide (PubChem CID 164944290) has the molecular formula C23H20FN7O2 and a molecular weight of 448.48 g/mol. Its IUPAC name is 6-[(5-fluoro-2-pyridinyl)amino]-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-fluoro-2-pyridinyl)amino]-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
PubChem CID164944290
Molecular FormulaC23H20FN7O2
Molecular Weight448.48 g/mol
Exact Mass448.19
IUPAC Name6-[(5-fluoro-2-pyridinyl)amino]-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1cccc2c1OCc1cn(C)nc1-2
InChIInChI=1S/C23H20FN7O2/c1-25-23(32)16-10-27-20(29-19-7-6-14(24)9-26-19)8-18(16)28-17-5-3-4-15-21-13(11-31(2)30-21)12-33-22(15)17/h3-11H,12H2,1-2H3,(H,25,32)(H2,26,27,28,29)/i1D3
InChIKeyRERQYWAIMBOGDQ-FIBGUPNXSA-N
XLogP3.76
TPSA105.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[(5-fluoro-2-pyridinyl)amino]-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

6-[(5-cyano-1-methylpyrazol-3-yl)amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 166492849
6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)-4-[(2,4,5-trimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]pyridine-3-carboxamide
CID 164944176
6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-(2-methylsulfanylanilino)pyridine-3-carboxamide
CID 155534361
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
6-(cyclopropanecarbonylamino)-4-[(2,5-dimethyl-4H-pyrazolo[4,3-c]quinolin-6-yl)amino]-N-methylpyridine-3-carboxamide
CID 164903097
ethyl 2-chloro-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]pyrimidine-5-carboxylate
CID 171626464
4-[(1-ethyl-7-methoxyindazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171437051
4-[(4,4-dideuterio-2,5-dimethylpyrazolo[4,3-c]quinolin-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 175976109
1-[2-methyl-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]cyclopropane-1-carboxamide
CID 175760883
tert-butyl N-(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)carbamate
CID 164944406
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-[(5-fluoro-2-pyridinyl)amino]-N-methoxy-4-[3-(1-methylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)anilino]pyridine-3-carboxamide
CID 163387397

Frequently Asked Questions

What is the IUPAC name of 6-[(5-fluoro-2-pyridinyl)amino]-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?
The IUPAC name of 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) is 6-[(5-fluoro-2-pyridinyl)amino]-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-fluoro-2-pyridinyl)amino]-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(5-fluoro-2-pyridinyl)amino]-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1cccc2c1OCc1cn(C)nc1-2.
What is the InChIKey of 6-[(5-fluoro-2-pyridinyl)amino]-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?
The InChIKey is RERQYWAIMBOGDQ-FIBGUPNXSA-N. The full InChI is InChI=1S/C23H20FN7O2/c1-25-23(32)16-10-27-20(29-19-7-6-14(24)9-26-19)8-18(16)28-17-5-3-4-15-21-13(11-31(2)30-21)12-33-22(15)17/h3-11H,12H2,1-2H3,(H,25,32)(H2,26,27,28,29)/i1D3.
What are the key properties of 6-[(5-fluoro-2-pyridinyl)amino]-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide?
6-[(5-fluoro-2-pyridinyl)amino]-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide has a molecular weight of 448.48 g/mol, XLogP of 3.76, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-fluoro-2-pyridinyl)amino]-4-[(2-methyl-4H-chromeno[4,3-c]pyrazol-6-yl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide is sourced from PubChem (CID 164944290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).