bis(N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide);methyl 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylate

C58H67N21O6 — CID 165072482

IUPACbis(N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide);methyl 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2cnn(C(C)C)c2)c(C)cn1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cnn(C(C)C)c1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cnn(C(C)C)c1
InChIInChI=1S/2C22H25N9O2.C14H17N3O2/c2*1-13(2)30-11-16(10-24-30)17-8-19(23-9-14(17)3)22(33)26-20-7-5-6-18(25-20)21-27-28-29-31(21)15(4)12-32;1-9(2)17-8-11(7-16-17)12-5-13(14(18)19-4)15-6-10(12)3/h2*5-11,13,15,32H,12H2,1-4H3,(H,25,26,33);5-9H,1-4H3/t2*15-;/m11./s1
InChIKeySZNQYFSMVWTEJG-QQPYHFHTSA-N
MW1154.31 g/mol
LogP8.00
Rot. Bonds17

About bis(N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide);methyl 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylate

bis(N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide);methyl 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylate (PubChem CID 165072482) has the molecular formula C58H67N21O6 and a molecular weight of 1154.31 g/mol. Its IUPAC name is bis(N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide);methyl 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namebis(N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide);methyl 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylate
PubChem CID165072482
Molecular FormulaC58H67N21O6
Molecular Weight1154.31 g/mol
Exact Mass1153.56
IUPAC Namebis(N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide);methyl 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2cnn(C(C)C)c2)c(C)cn1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cnn(C(C)C)c1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cnn(C(C)C)c1
InChIInChI=1S/2C22H25N9O2.C14H17N3O2/c2*1-13(2)30-11-16(10-24-30)17-8-19(23-9-14(17)3)22(33)26-20-7-5-6-18(25-20)21-27-28-29-31(21)15(4)12-32;1-9(2)17-8-11(7-16-17)12-5-13(14(18)19-4)15-6-10(12)3/h2*5-11,13,15,32H,12H2,1-4H3,(H,25,26,33);5-9H,1-4H3/t2*15-;/m11./s1
InChIKeySZNQYFSMVWTEJG-QQPYHFHTSA-N
XLogP8.00
TPSA330.07 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds17
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001154.31
LogP ≤ 58.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze bis(N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide);methyl 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylate with MolForge

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Related Compounds

CID 158920048
CID 158920048
benzyl 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;benzyl 5-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;trans-(1R,2R)-N-[8-amino-6-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 160742727
benzyl 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;benzyl 5-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;trans-(1R,2R)-N-[8-amino-6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 161114894
tert-butyl N-[(1S)-1-[3-[2-(ethoxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;2-(ethoxymethyl)-N'-hydroxypyridine-4-carboximidamide;2-(ethoxymethyl)-4-isocyanopyridine;(1S)-1-[3-[2-(ethoxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1S)-1-[3-[2-(ethoxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxylamine;4-isocyanopyridine;(4-isocyano-2-pyridinyl)methanol;methane;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;dihydrochloride
CID 172966002
Methyl 4-[1-[6-[2-[[3-[2-[2-cyclopropyl-6-[4-[6-[(oxetan-3-ylamino)methyl]-3-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]-4-pyridinyl]-5-fluorophenyl]-1,2,4-triazol-4-yl]methyl]cyclopropyl]-4-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-2-pyridinyl]pyrazol-4-yl]-5-(trifluoromethyl)pyridine-2-carboxylate
CID 177367999
bis[(1S)-1-[5-[1-methyl-4-[6-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]-3-pyridinyl]pyrazol-5-yl]tetrazol-1-yl]ethyl] carbonate
CID 121268252
7-Amino-4-[5-[2-[4-[2-(7-amino-11-carbamoyl-12-methyl-4-pyridin-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-2-pyridinyl]-12-methyl-10-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylic acid
CID 155579904
[(2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propyl] acetate;5-(1-cyclopropylpyrazol-4-yl)-2-fluoro-4-methylbenzoic acid;4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide
CID 157306470
4-(1-cyclopropylpyrazol-4-yl)-5-(difluoromethyl)-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;methyl 4-chloro-5-(difluoromethyl)pyridine-2-carboxylate;methyl 4-(1-cyclopropylpyrazol-4-yl)-5-(difluoromethyl)pyridine-2-carboxylate
CID 157644637
4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide;2-[5-[6-[[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carbonyl]amino]-2-pyridinyl]tetrazol-1-yl]propyl acetate;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid
CID 157777646
2-fluoro-N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide;6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-amine;N-[6-[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide
CID 157858008
2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propyl acetate;4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide;2-[5-[6-[[4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carbonyl]amino]-2-pyridinyl]tetrazol-1-yl]propyl acetate;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methyl 4-chloro-5-methylpyridine-2-carboxylate;methyl 4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylate
CID 158152186

Frequently Asked Questions

What is the IUPAC name of bis(N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide);methyl 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylate?
The IUPAC name of bis(N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide);methyl 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylate (CID 165072482) is bis(N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide);methyl 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylate.
What is the SMILES notation for bis(N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide);methyl 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylate?
The canonical SMILES for bis(N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide);methyl 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylate is COC(=O)c1cc(-c2cnn(C(C)C)c2)c(C)cn1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cnn(C(C)C)c1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cnn(C(C)C)c1.
What is the InChIKey of bis(N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide);methyl 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylate?
The InChIKey is SZNQYFSMVWTEJG-QQPYHFHTSA-N. The full InChI is InChI=1S/2C22H25N9O2.C14H17N3O2/c2*1-13(2)30-11-16(10-24-30)17-8-19(23-9-14(17)3)22(33)26-20-7-5-6-18(25-20)21-27-28-29-31(21)15(4)12-32;1-9(2)17-8-11(7-16-17)12-5-13(14(18)19-4)15-6-10(12)3/h2*5-11,13,15,32H,12H2,1-4H3,(H,25,26,33);5-9H,1-4H3/t2*15-;/m11./s1.
What are the key properties of bis(N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide);methyl 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylate?
bis(N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide);methyl 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylate has a molecular weight of 1154.31 g/mol, XLogP of 8.00, 17 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide);methyl 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylate is sourced from PubChem (CID 165072482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).