butyl 4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylate;2-chloro-4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine;2-chloro-4-iodo-5-methylpyridine;4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid

C70H74Cl2IN19O5 — CID 158779307

IUPACbutyl 4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylate;2-chloro-4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine;2-chloro-4-iodo-5-methylpyridine;4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid
SMILESCCCCOC(=O)c1cc(-c2cnn(C3CC3)c2)c(C)cn1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1cnn(C2CC2)c1.Cc1cnc(C(=O)O)cc1-c1cnn(C2CC2)c1.Cc1cnc(Cl)cc1-c1cnn(C2CC2)c1.Cc1cnc(Cl)cc1I
InChIInChI=1S/C22H23N9O.C17H21N3O2.C13H13N3O2.C12H12ClN3.C6H5ClIN/c1-13(2)31-21(27-28-29-31)18-5-4-6-20(25-18)26-22(32)19-9-17(14(3)10-23-19)15-11-24-30(12-15)16-7-8-16;1-3-4-7-22-17(21)16-8-15(12(2)9-18-16)13-10-19-20(11-13)14-5-6-14;1-8-5-14-12(13(17)18)4-11(8)9-6-15-16(7-9)10-2-3-10;1-8-5-14-12(13)4-11(8)9-6-15-16(7-9)10-2-3-10;1-4-3-9-6(7)2-5(4)8/h4-6,9-13,16H,7-8H2,1-3H3,(H,25,26,32);8-11,14H,3-7H2,1-2H3;4-7,10H,2-3H2,1H3,(H,17,18);4-7,10H,2-3H2,1H3;2-3H,1H3
InChIKeyIQWFFNFQMFHVJL-UHFFFAOYSA-N
MW1459.30 g/mol
LogP15.19
Rot. Bonds17

About butyl 4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylate;2-chloro-4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine;2-chloro-4-iodo-5-methylpyridine;4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid

butyl 4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylate;2-chloro-4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine;2-chloro-4-iodo-5-methylpyridine;4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid (PubChem CID 158779307) has the molecular formula C70H74Cl2IN19O5 and a molecular weight of 1459.30 g/mol. Its IUPAC name is butyl 4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylate;2-chloro-4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine;2-chloro-4-iodo-5-methylpyridine;4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Namebutyl 4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylate;2-chloro-4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine;2-chloro-4-iodo-5-methylpyridine;4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid
PubChem CID158779307
Molecular FormulaC70H74Cl2IN19O5
Molecular Weight1459.30 g/mol
Exact Mass1457.45
IUPAC Namebutyl 4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylate;2-chloro-4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine;2-chloro-4-iodo-5-methylpyridine;4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid
SMILESCCCCOC(=O)c1cc(-c2cnn(C3CC3)c2)c(C)cn1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1cnn(C2CC2)c1.Cc1cnc(C(=O)O)cc1-c1cnn(C2CC2)c1.Cc1cnc(Cl)cc1-c1cnn(C2CC2)c1.Cc1cnc(Cl)cc1I
InChIInChI=1S/C22H23N9O.C17H21N3O2.C13H13N3O2.C12H12ClN3.C6H5ClIN/c1-13(2)31-21(27-28-29-31)18-5-4-6-20(25-18)26-22(32)19-9-17(14(3)10-23-19)15-11-24-30(12-15)16-7-8-16;1-3-4-7-22-17(21)16-8-15(12(2)9-18-16)13-10-19-20(11-13)14-5-6-14;1-8-5-14-12(13(17)18)4-11(8)9-6-15-16(7-9)10-2-3-10;1-8-5-14-12(13)4-11(8)9-6-15-16(7-9)10-2-3-10;1-4-3-9-6(7)2-5(4)8/h4-6,9-13,16H,7-8H2,1-3H3,(H,25,26,32);8-11,14H,3-7H2,1-2H3;4-7,10H,2-3H2,1H3,(H,17,18);4-7,10H,2-3H2,1H3;2-3H,1H3
InChIKeyIQWFFNFQMFHVJL-UHFFFAOYSA-N
XLogP15.19
TPSA284.92 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001459.30
LogP ≤ 515.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze butyl 4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylate;2-chloro-4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine;2-chloro-4-iodo-5-methylpyridine;4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

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 157260719
CID 157260719
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloropyrazolo[3,4-b]pyridin-2-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloropyrazolo[3,4-b]pyridin-2-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 2-[(5-chloropyrazolo[3,4-b]pyridin-2-yl)methyl]pyridine-4-carboxylate;oxolane;hydrochloride
CID 157431744
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
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
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
4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(5-propan-2-yltetrazol-1-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid;6-(5-propan-2-yltetrazol-1-yl)pyridin-2-amine
CID 158191845
sodium;butyl 4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylate;bis(4-(4-cyclopropylimidazol-1-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide);2-[5-[6-[[4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carbonyl]amino]-2-pyridinyl]tetrazol-1-yl]propyl acetate;4-(4-cyclopropylimidazol-1-yl)-5-methylpyridine-2-carboxylic acid;methane;methanol;hydroxide
CID 158260998
4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;ethyl 4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylate;ethyl 4,5-dimethylpyridine-2-carboxylate;ethyl 5-methyl-4-oxo-1H-pyridine-2-carboxylate;6-(1-propan-2-yltetrazol-5-yl)pyridin-2-amine
CID 158768882
CID 159074785
CID 159074785
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 2-[(5-chloropyrazolo[3,4-b]pyridin-1-yl)methyl]pyridine-4-carboxylate;oxolane;hydrochloride
CID 159227884

Frequently Asked Questions

What is the IUPAC name of butyl 4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylate;2-chloro-4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine;2-chloro-4-iodo-5-methylpyridine;4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid?
The IUPAC name of butyl 4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylate;2-chloro-4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine;2-chloro-4-iodo-5-methylpyridine;4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid (CID 158779307) is butyl 4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylate;2-chloro-4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine;2-chloro-4-iodo-5-methylpyridine;4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid.
What is the SMILES notation for butyl 4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylate;2-chloro-4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine;2-chloro-4-iodo-5-methylpyridine;4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid?
The canonical SMILES for butyl 4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylate;2-chloro-4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine;2-chloro-4-iodo-5-methylpyridine;4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid is CCCCOC(=O)c1cc(-c2cnn(C3CC3)c2)c(C)cn1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3C(C)C)n2)cc1-c1cnn(C2CC2)c1.Cc1cnc(C(=O)O)cc1-c1cnn(C2CC2)c1.Cc1cnc(Cl)cc1-c1cnn(C2CC2)c1.Cc1cnc(Cl)cc1I.
What is the InChIKey of butyl 4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylate;2-chloro-4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine;2-chloro-4-iodo-5-methylpyridine;4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid?
The InChIKey is IQWFFNFQMFHVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N9O.C17H21N3O2.C13H13N3O2.C12H12ClN3.C6H5ClIN/c1-13(2)31-21(27-28-29-31)18-5-4-6-20(25-18)26-22(32)19-9-17(14(3)10-23-19)15-11-24-30(12-15)16-7-8-16;1-3-4-7-22-17(21)16-8-15(12(2)9-18-16)13-10-19-20(11-13)14-5-6-14;1-8-5-14-12(13(17)18)4-11(8)9-6-15-16(7-9)10-2-3-10;1-8-5-14-12(13)4-11(8)9-6-15-16(7-9)10-2-3-10;1-4-3-9-6(7)2-5(4)8/h4-6,9-13,16H,7-8H2,1-3H3,(H,25,26,32);8-11,14H,3-7H2,1-2H3;4-7,10H,2-3H2,1H3,(H,17,18);4-7,10H,2-3H2,1H3;2-3H,1H3.
What are the key properties of butyl 4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylate;2-chloro-4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine;2-chloro-4-iodo-5-methylpyridine;4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid?
butyl 4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylate;2-chloro-4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine;2-chloro-4-iodo-5-methylpyridine;4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid has a molecular weight of 1459.30 g/mol, XLogP of 15.19, 17 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylate;2-chloro-4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine;2-chloro-4-iodo-5-methylpyridine;4-(1-cyclopropylpyrazol-4-yl)-5-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]pyridine-2-carboxamide;4-(1-cyclopropylpyrazol-4-yl)-5-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 158779307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).