[(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

C47H50FN17O6 — CID 157306470

IUPAC[(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
SMILESCC(=O)OC[C@@H](C)n1nnnc1-c1cccc(N)n1.Cc1cc(F)c(C(=O)O)cc1-c1cnn(C2CC2)c1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cnn(C2CC2)c1
InChIInChI=1S/C22H23N9O2.C14H13FN2O2.C11H14N6O2/c1-13-9-23-19(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;1-8-4-13(15)12(14(18)19)5-11(8)9-6-16-17(7-9)10-2-3-10;1-7(6-19-8(2)18)17-11(14-15-16-17)9-4-3-5-10(12)13-9/h3-5,8-11,14,16,32H,6-7,12H2,1-2H3,(H,25,26,33);4-7,10H,2-3H2,1H3,(H,18,19);3-5,7H,6H2,1-2H3,(H2,12,13)/t14-;;7-/m1.1/s1
InChIKeyBCNMMXQBNLTWBL-KXSUNCSLSA-N
MW968.03 g/mol
LogP5.91
Rot. Bonds14

About [(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

[(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 (PubChem CID 157306470) has the molecular formula C47H50FN17O6 and a molecular weight of 968.03 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID157306470
Molecular FormulaC47H50FN17O6
Molecular Weight968.03 g/mol
Exact Mass967.41
IUPAC Name[(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
SMILESCC(=O)OC[C@@H](C)n1nnnc1-c1cccc(N)n1.Cc1cc(F)c(C(=O)O)cc1-c1cnn(C2CC2)c1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cnn(C2CC2)c1
InChIInChI=1S/C22H23N9O2.C14H13FN2O2.C11H14N6O2/c1-13-9-23-19(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;1-8-4-13(15)12(14(18)19)5-11(8)9-6-16-17(7-9)10-2-3-10;1-7(6-19-8(2)18)17-11(14-15-16-17)9-4-3-5-10(12)13-9/h3-5,8-11,14,16,32H,6-7,12H2,1-2H3,(H,25,26,33);4-7,10H,2-3H2,1H3,(H,18,19);3-5,7H,6H2,1-2H3,(H2,12,13)/t14-;;7-/m1.1/s1
InChIKeyBCNMMXQBNLTWBL-KXSUNCSLSA-N
XLogP5.91
TPSA300.46 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds14
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500968.03
LogP ≤ 55.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze [(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 with MolForge

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Launch Full Analysis

Related Compounds

(1S)-1-[[3-fluoro-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59460941
prop-2-enyl (1S)-1-[[3-fluoro-5-[(2-morpholin-4-yl-4-pyridinyl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate
CID 59462204
N-[8-[1-[[4-[3-[(4-fluorobenzoyl)amino]isoquinolin-6-yl]-1-methylpyrazol-5-yl]methyl]pyrrolidin-3-yl]-6-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]isoquinolin-3-yl]-2-methyl-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 132077911
bis(4-(bromomethyl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide);4-(bromomethyl)-3-(trifluoromethyl)benzoic acid;6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-amine;N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide
CID 159960290
3-ethyl-1-(4-fluorophenyl)pyrazol-5-amine;N-[3-ethyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide;2-fluoro-N-[1-(4-fluorophenyl)-3-(hydroxymethyl)pyrazol-5-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide;2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoic acid;phosphoryl trichloride
CID 160756217
[1-[[4-[5-cyano-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]-6-[6,7-difluoro-5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]-2-pyridinyl]amino]-2-methylpropan-2-yl] 2-[[4-[1-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pyrazol-5-yl]-6-[3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]-2-pyridinyl]amino]acetate
CID 171514889
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
5-bromo-2-fluoro-4-methylbenzoic acid;5-(1-cyclopropylpyrazol-4-yl)-2-fluoro-4-methylbenzoic acid;5-(1-cyclopropylpyrazol-4-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide
CID 157422607
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CID 157777646
2-[5-(6-Amino-2-pyridinyl)tetrazol-1-yl]propyl acetate;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;2-[5-[6-[[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl]amino]-2-pyridinyl]tetrazol-1-yl]propyl acetate
CID 157920156
6-[1-[(2R)-butan-2-yl]tetrazol-5-yl]pyridin-2-amine;5-(4-cyclopropylimidazol-1-yl)-4-ethyl-2-fluorobenzoic acid;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(hydroxymethyl)-N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]benzamide
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4-[4-amino-1-[(3R)-1-[(E)-4-[cyclopropyl(methyl)amino]but-2-enoyl]pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]benzoic acid;4-[4-amino-1-[(3R)-1-[(E)-4-[cyclopropyl(methyl)amino]but-2-enoyl]pyrrolidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(1,3-oxazol-2-yl)benzamide;1,3-oxazol-2-amine
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Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CC(=O)OC[C@@H](C)n1nnnc1-c1cccc(N)n1.Cc1cc(F)c(C(=O)O)cc1-c1cnn(C2CC2)c1.Cc1cnc(C(=O)Nc2cccc(-c3nnnn3[C@H](C)CO)n2)cc1-c1cnn(C2CC2)c1.
What is the InChIKey of [(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?
The InChIKey is BCNMMXQBNLTWBL-KXSUNCSLSA-N. The full InChI is InChI=1S/C22H23N9O2.C14H13FN2O2.C11H14N6O2/c1-13-9-23-19(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;1-8-4-13(15)12(14(18)19)5-11(8)9-6-16-17(7-9)10-2-3-10;1-7(6-19-8(2)18)17-11(14-15-16-17)9-4-3-5-10(12)13-9/h3-5,8-11,14,16,32H,6-7,12H2,1-2H3,(H,25,26,33);4-7,10H,2-3H2,1H3,(H,18,19);3-5,7H,6H2,1-2H3,(H2,12,13)/t14-;;7-/m1.1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 968.03 g/mol, XLogP of 5.91, 14 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 157306470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).