(2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;butyl 4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxylate;bis(4-(4-tert-butylimidazol-1-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide)

C73H91N27O7 — CID 159677371

IUPAC(2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;butyl 4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxylate;bis(4-(4-tert-butylimidazol-1-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide)
SMILESCCCCOC(=O)c1cc(-n2cnc(C(C)(C)C)c2)c(C)cn1.C[C@H](CO)n1nnnc1-c1cccc(N)n1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-n1cnc(C(C)(C)C)c1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-n1cnc(C(C)(C)C)c1
InChIInChI=1S/2C23H27N9O2.C18H25N3O2.C9H12N6O/c2*1-14-10-24-17(9-18(14)31-11-19(25-13-31)23(3,4)5)22(34)27-20-8-6-7-16(26-20)21-28-29-30-32(21)15(2)12-33;1-6-7-8-23-17(22)14-9-15(13(2)10-19-14)21-11-16(20-12-21)18(3,4)5;1-6(5-16)15-9(12-13-14-15)7-3-2-4-8(10)11-7/h2*6-11,13,15,33H,12H2,1-5H3,(H,26,27,34);9-12H,6-8H2,1-5H3;2-4,6,16H,5H2,1H3,(H2,10,11)/t2*15-;;6-/m11.1/s1
InChIKeyMUTSQVWVMOBBES-TVPMRYCHSA-N
MW1458.71 g/mol
LogP9.16
Rot. Bonds20

About (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;butyl 4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxylate;bis(4-(4-tert-butylimidazol-1-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide)

(2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;butyl 4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxylate;bis(4-(4-tert-butylimidazol-1-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide) (PubChem CID 159677371) has the molecular formula C73H91N27O7 and a molecular weight of 1458.71 g/mol. Its IUPAC name is (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;butyl 4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxylate;bis(4-(4-tert-butylimidazol-1-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide).

Molecular Properties

Compound Name(2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;butyl 4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxylate;bis(4-(4-tert-butylimidazol-1-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide)
PubChem CID159677371
Molecular FormulaC73H91N27O7
Molecular Weight1458.71 g/mol
Exact Mass1457.76
IUPAC Name(2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;butyl 4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxylate;bis(4-(4-tert-butylimidazol-1-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide)
SMILESCCCCOC(=O)c1cc(-n2cnc(C(C)(C)C)c2)c(C)cn1.C[C@H](CO)n1nnnc1-c1cccc(N)n1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-n1cnc(C(C)(C)C)c1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-n1cnc(C(C)(C)C)c1
InChIInChI=1S/2C23H27N9O2.C18H25N3O2.C9H12N6O/c2*1-14-10-24-17(9-18(14)31-11-19(25-13-31)23(3,4)5)22(34)27-20-8-6-7-16(26-20)21-28-29-30-32(21)15(2)12-33;1-6-7-8-23-17(22)14-9-15(13(2)10-19-14)21-11-16(20-12-21)18(3,4)5;1-6(5-16)15-9(12-13-14-15)7-3-2-4-8(10)11-7/h2*6-11,13,15,33H,12H2,1-5H3,(H,26,27,34);9-12H,6-8H2,1-5H3;2-4,6,16H,5H2,1H3,(H2,10,11)/t2*15-;;6-/m11.1/s1
InChIKeyMUTSQVWVMOBBES-TVPMRYCHSA-N
XLogP9.16
TPSA432.81 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds20
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001458.71
LogP ≤ 59.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;butyl 4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxylate;bis(4-(4-tert-butylimidazol-1-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide) with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[2-[3-[4-[2-[3-[6-[[5-fluoro-1-(pyridin-4-ylmethyl)indole-6-carbonyl]amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]-6-[[1-[2-(1-phenylethoxy)ethyl]imidazo[4,5-c]pyridine-6-carbonyl]amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-[2-(pyridin-4-ylmethoxy)ethyl]imidazo[4,5-c]pyridine-6-carboxamide
CID 154991766
2-amino-3-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[(E)-4-[6-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridin-3-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridine-6-carboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid
CID 157127238
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
7-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 6-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
CID 157184425
CID 157260719
CID 157260719
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-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
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
ethyl 1-oxo-2-propan-2-yl-3H-pyrrolo[3,4-c]pyridine-6-carboxylate;1-oxo-2-propan-2-yl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridine-6-carboxamide;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine
CID 158564302
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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;butyl 4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxylate;bis(4-(4-tert-butylimidazol-1-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide)?
The IUPAC name of (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;butyl 4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxylate;bis(4-(4-tert-butylimidazol-1-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide) (CID 159677371) is (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;butyl 4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxylate;bis(4-(4-tert-butylimidazol-1-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide).
What is the SMILES notation for (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;butyl 4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxylate;bis(4-(4-tert-butylimidazol-1-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide)?
The canonical SMILES for (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;butyl 4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxylate;bis(4-(4-tert-butylimidazol-1-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide) is CCCCOC(=O)c1cc(-n2cnc(C(C)(C)C)c2)c(C)cn1.C[C@H](CO)n1nnnc1-c1cccc(N)n1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-n1cnc(C(C)(C)C)c1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-n1cnc(C(C)(C)C)c1.
What is the InChIKey of (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;butyl 4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxylate;bis(4-(4-tert-butylimidazol-1-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide)?
The InChIKey is MUTSQVWVMOBBES-TVPMRYCHSA-N. The full InChI is InChI=1S/2C23H27N9O2.C18H25N3O2.C9H12N6O/c2*1-14-10-24-17(9-18(14)31-11-19(25-13-31)23(3,4)5)22(34)27-20-8-6-7-16(26-20)21-28-29-30-32(21)15(2)12-33;1-6-7-8-23-17(22)14-9-15(13(2)10-19-14)21-11-16(20-12-21)18(3,4)5;1-6(5-16)15-9(12-13-14-15)7-3-2-4-8(10)11-7/h2*6-11,13,15,33H,12H2,1-5H3,(H,26,27,34);9-12H,6-8H2,1-5H3;2-4,6,16H,5H2,1H3,(H2,10,11)/t2*15-;;6-/m11.1/s1.
What are the key properties of (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;butyl 4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxylate;bis(4-(4-tert-butylimidazol-1-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide)?
(2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;butyl 4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxylate;bis(4-(4-tert-butylimidazol-1-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide) has a molecular weight of 1458.71 g/mol, XLogP of 9.16, 20 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;butyl 4-(4-tert-butylimidazol-1-yl)-5-methylpyridine-2-carboxylate;bis(4-(4-tert-butylimidazol-1-yl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methylpyridine-2-carboxamide) is sourced from PubChem (CID 159677371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).