bis(4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);[(2R)-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

C81H84N30O9 — CID 165019137

IUPACbis(4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);[(2R)-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
SMILESCC(=O)OC[C@@H](C)n1nnnc1-c1cccc(NC(=O)c2cc(-c3cnn(C4CC4)c3)c(C)cn2)n1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cnn(C2CC2)c1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cnn(C2CC2)c1.Cc1cnc(C(=O)O)cc1-c1cnn(C2CC2)c1
InChIInChI=1S/C24H25N9O3.2C22H23N9O2.C13H13N3O2/c1-14-10-25-21(9-19(14)17-11-26-32(12-17)18-7-8-18)24(35)28-22-6-4-5-20(27-22)23-29-30-31-33(23)15(2)13-36-16(3)34;2*1-13-9-23-19(8-17(13)15-10-24-30(11-15)16-6-7-16)22(33)26-20-5-3-4-18(25-20)21-27-28-29-31(21)14(2)12-32;1-8-5-14-12(13(17)18)4-11(8)9-6-15-16(7-9)10-2-3-10/h4-6,9-12,15,18H,7-8,13H2,1-3H3,(H,27,28,35);2*3-5,8-11,14,16,32H,6-7,12H2,1-2H3,(H,25,26,33);4-7,10H,2-3H2,1H3,(H,17,18)/t15-;2*14-;/m111./s1
InChIKeyKWXCUXUBINAVQJ-GDXJUWGZSA-N
MW1621.76 g/mol
LogP10.18
Rot. Bonds25

About bis(4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);[(2R)-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

bis(4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);[(2R)-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 (PubChem CID 165019137) has the molecular formula C81H84N30O9 and a molecular weight of 1621.76 g/mol. Its IUPAC name is bis(4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);[(2R)-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.

Molecular Properties

Compound Namebis(4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);[(2R)-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
PubChem CID165019137
Molecular FormulaC81H84N30O9
Molecular Weight1621.76 g/mol
Exact Mass1620.70
IUPAC Namebis(4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);[(2R)-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
SMILESCC(=O)OC[C@@H](C)n1nnnc1-c1cccc(NC(=O)c2cc(-c3cnn(C4CC4)c3)c(C)cn2)n1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cnn(C2CC2)c1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cnn(C2CC2)c1.Cc1cnc(C(=O)O)cc1-c1cnn(C2CC2)c1
InChIInChI=1S/C24H25N9O3.2C22H23N9O2.C13H13N3O2/c1-14-10-25-21(9-19(14)17-11-26-32(12-17)18-7-8-18)24(35)28-22-6-4-5-20(27-22)23-29-30-31-33(23)15(2)13-36-16(3)34;2*1-13-9-23-19(8-17(13)15-10-24-30(11-15)16-6-7-16)22(33)26-20-5-3-4-18(25-20)21-27-28-29-31(21)14(2)12-32;1-8-5-14-12(13(17)18)4-11(8)9-6-15-16(7-9)10-2-3-10/h4-6,9-12,15,18H,7-8,13H2,1-3H3,(H,27,28,35);2*3-5,8-11,14,16,32H,6-7,12H2,1-2H3,(H,25,26,33);4-7,10H,2-3H2,1H3,(H,17,18)/t15-;2*14-;/m111./s1
InChIKeyKWXCUXUBINAVQJ-GDXJUWGZSA-N
XLogP10.18
TPSA483.67 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds25
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001621.76
LogP ≤ 510.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Analyze bis(4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);[(2R)-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 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
butyl 4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylate;2-chloro-4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine;5-cyclopropyl-1H-imidazole;bis(4-(4-cyclopropylimidazol-1-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide);2,4-dichloro-5-methylpyridine
CID 157138835
CID 157235957
CID 157235957
[(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
1-[4-[3-[(1S)-1-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[[6-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]-2-methylpropan-2-ol;5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[2-[5-[1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 157494846
3-(4-cyclopropyl-1,2,4-triazol-3-yl)aniline;N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-(1-propan-2-ylpyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxamide;4-(1-propan-2-ylpyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxylic acid
CID 157527978
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
CID 157748523
CID 157748523
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
butyl 4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylate;2-chloro-4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine;5-cyclopropyl-1H-imidazole;bis(4-(4-cyclopropylimidazol-1-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide);2,4-dichloro-5-methylpyridine;methane
CID 157779586

Frequently Asked Questions

What is the IUPAC name of bis(4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);[(2R)-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?
The IUPAC name of bis(4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);[(2R)-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 165019137) is bis(4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);[(2R)-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.
What is the SMILES notation for bis(4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);[(2R)-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?
The canonical SMILES for bis(4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);[(2R)-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 is CC(=O)OC[C@@H](C)n1nnnc1-c1cccc(NC(=O)c2cc(-c3cnn(C4CC4)c3)c(C)cn2)n1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cnn(C2CC2)c1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cnn(C2CC2)c1.Cc1cnc(C(=O)O)cc1-c1cnn(C2CC2)c1.
What is the InChIKey of bis(4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);[(2R)-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?
The InChIKey is KWXCUXUBINAVQJ-GDXJUWGZSA-N. The full InChI is InChI=1S/C24H25N9O3.2C22H23N9O2.C13H13N3O2/c1-14-10-25-21(9-19(14)17-11-26-32(12-17)18-7-8-18)24(35)28-22-6-4-5-20(27-22)23-29-30-31-33(23)15(2)13-36-16(3)34;2*1-13-9-23-19(8-17(13)15-10-24-30(11-15)16-6-7-16)22(33)26-20-5-3-4-18(25-20)21-27-28-29-31(21)14(2)12-32;1-8-5-14-12(13(17)18)4-11(8)9-6-15-16(7-9)10-2-3-10/h4-6,9-12,15,18H,7-8,13H2,1-3H3,(H,27,28,35);2*3-5,8-11,14,16,32H,6-7,12H2,1-2H3,(H,25,26,33);4-7,10H,2-3H2,1H3,(H,17,18)/t15-;2*14-;/m111./s1.
What are the key properties of bis(4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);[(2R)-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?
bis(4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);[(2R)-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 has a molecular weight of 1621.76 g/mol, XLogP of 10.18, 25 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-(1-cyclopropylpyrazol-4-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);[(2R)-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 is sourced from PubChem (CID 165019137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).