6-[(5-cyano-1-methylpyrazol-3-yl)amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide

C23H20FN9O2 — CID 166492849

IUPAC6-[(5-cyano-1-methylpyrazol-3-yl)amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cnc(Nc2cc(C#N)n(C)n2)cc1Nc1cccc(-c2ncc(F)cn2)c1OC
InChIInChI=1S/C23H20FN9O2/c1-26-23(34)16-12-27-19(31-20-7-14(9-25)33(2)32-20)8-18(16)30-17-6-4-5-15(21(17)35-3)22-28-10-13(24)11-29-22/h4-8,10-12H,1-3H3,(H,26,34)(H2,27,30,31,32)/i1D3
InChIKeySPZMGFVHKBXPLJ-FIBGUPNXSA-N
MW476.49 g/mol
LogP3.14
Rot. Bonds8

About 6-[(5-cyano-1-methylpyrazol-3-yl)amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide

6-[(5-cyano-1-methylpyrazol-3-yl)amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide (PubChem CID 166492849) has the molecular formula C23H20FN9O2 and a molecular weight of 476.49 g/mol. Its IUPAC name is 6-[(5-cyano-1-methylpyrazol-3-yl)amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-cyano-1-methylpyrazol-3-yl)amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide
PubChem CID166492849
Molecular FormulaC23H20FN9O2
Molecular Weight476.49 g/mol
Exact Mass476.19
IUPAC Name6-[(5-cyano-1-methylpyrazol-3-yl)amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cnc(Nc2cc(C#N)n(C)n2)cc1Nc1cccc(-c2ncc(F)cn2)c1OC
InChIInChI=1S/C23H20FN9O2/c1-26-23(34)16-12-27-19(31-20-7-14(9-25)33(2)32-20)8-18(16)30-17-6-4-5-15(21(17)35-3)22-28-10-13(24)11-29-22/h4-8,10-12H,1-3H3,(H,26,34)(H2,27,30,31,32)/i1D3
InChIKeySPZMGFVHKBXPLJ-FIBGUPNXSA-N
XLogP3.14
TPSA142.67 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

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
4-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 90153927
6-[(1-cyclopropylpyrazol-3-yl)amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166492823
4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide
CID 175957147
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-prop-2-ynyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 157020994
6-[[5-acetyl-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]amino]pyridine-3-carbonitrile
CID 162355187
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-(cyclopropanecarbonyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-pyridinyl]amino]pyridine-2-carbonitrile
CID 155279392
4-[(1-ethyl-7-methoxyindazol-6-yl)amino]-6-[(5-fluoro-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 171437051
1-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[(1-methylpyrazol-3-yl)amino]-3-pyridinyl]ethanone
CID 166798851
2-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyrimidine-5-carboxamide
CID 171437014
4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-[(1-methylpyrazol-3-yl)amino]-N-(trideuteriomethyl)pyrimidine-5-carboxamide
CID 171437417

Frequently Asked Questions

What is the IUPAC name of 6-[(5-cyano-1-methylpyrazol-3-yl)amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[(5-cyano-1-methylpyrazol-3-yl)amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide (CID 166492849) is 6-[(5-cyano-1-methylpyrazol-3-yl)amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-cyano-1-methylpyrazol-3-yl)amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(5-cyano-1-methylpyrazol-3-yl)amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1cnc(Nc2cc(C#N)n(C)n2)cc1Nc1cccc(-c2ncc(F)cn2)c1OC.
What is the InChIKey of 6-[(5-cyano-1-methylpyrazol-3-yl)amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide?
The InChIKey is SPZMGFVHKBXPLJ-FIBGUPNXSA-N. The full InChI is InChI=1S/C23H20FN9O2/c1-26-23(34)16-12-27-19(31-20-7-14(9-25)33(2)32-20)8-18(16)30-17-6-4-5-15(21(17)35-3)22-28-10-13(24)11-29-22/h4-8,10-12H,1-3H3,(H,26,34)(H2,27,30,31,32)/i1D3.
What are the key properties of 6-[(5-cyano-1-methylpyrazol-3-yl)amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide?
6-[(5-cyano-1-methylpyrazol-3-yl)amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide has a molecular weight of 476.49 g/mol, XLogP of 3.14, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-cyano-1-methylpyrazol-3-yl)amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-(trideuteriomethyl)pyridine-3-carboxamide is sourced from PubChem (CID 166492849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).