(2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide);2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzoic acid

C72H86N24O10 — CID 165028597

IUPAC(2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide);2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzoic acid
SMILESCOc1cc(C)c(-c2ccn(C(C)C)n2)cc1C(=O)Nc1cccc(-c2nnnn2[C@H](C)CO)n1.COc1cc(C)c(-c2ccn(C(C)C)n2)cc1C(=O)Nc1cccc(-c2nnnn2[C@H](C)CO)n1.COc1cc(C)c(-c2ccn(C(C)C)n2)cc1C(=O)O.C[C@H](CO)n1nnnc1-c1cccc(N)n1
InChIInChI=1S/2C24H28N8O3.C15H18N2O3.C9H12N6O/c2*1-14(2)31-10-9-19(28-31)17-12-18(21(35-5)11-15(17)3)24(34)26-22-8-6-7-20(25-22)23-27-29-30-32(23)16(4)13-33;1-9(2)17-6-5-13(16-17)11-8-12(15(18)19)14(20-4)7-10(11)3;1-6(5-16)15-9(12-13-14-15)7-3-2-4-8(10)11-7/h2*6-12,14,16,33H,13H2,1-5H3,(H,25,26,34);5-9H,1-4H3,(H,18,19);2-4,6,16H,5H2,1H3,(H2,10,11)/t2*16-;;6-/m11.1/s1
InChIKeyMHAFTOPLLCQRGX-NFSNNPESSA-N
MW1447.64 g/mol
LogP9.62
Rot. Bonds23

About (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide);2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzoic acid

(2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide);2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzoic acid (PubChem CID 165028597) has the molecular formula C72H86N24O10 and a molecular weight of 1447.64 g/mol. Its IUPAC name is (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide);2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzoic acid.

Molecular Properties

Compound Name(2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide);2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzoic acid
PubChem CID165028597
Molecular FormulaC72H86N24O10
Molecular Weight1447.64 g/mol
Exact Mass1446.70
IUPAC Name(2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide);2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzoic acid
SMILESCOc1cc(C)c(-c2ccn(C(C)C)n2)cc1C(=O)Nc1cccc(-c2nnnn2[C@H](C)CO)n1.COc1cc(C)c(-c2ccn(C(C)C)n2)cc1C(=O)Nc1cccc(-c2nnnn2[C@H](C)CO)n1.COc1cc(C)c(-c2ccn(C(C)C)n2)cc1C(=O)O.C[C@H](CO)n1nnnc1-c1cccc(N)n1
InChIInChI=1S/2C24H28N8O3.C15H18N2O3.C9H12N6O/c2*1-14(2)31-10-9-19(28-31)17-12-18(21(35-5)11-15(17)3)24(34)26-22-8-6-7-20(25-22)23-27-29-30-32(23)16(4)13-33;1-9(2)17-6-5-13(16-17)11-8-12(15(18)19)14(20-4)7-10(11)3;1-6(5-16)15-9(12-13-14-15)7-3-2-4-8(10)11-7/h2*6-12,14,16,33H,13H2,1-5H3,(H,25,26,34);5-9H,1-4H3,(H,18,19);2-4,6,16H,5H2,1H3,(H2,10,11)/t2*16-;;6-/m11.1/s1
InChIKeyMHAFTOPLLCQRGX-NFSNNPESSA-N
XLogP9.62
TPSA432.83 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds23
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001447.64
LogP ≤ 59.62
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

Analyze (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide);2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzoic acid with MolForge

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Related Compounds

US11345699, Example 152
CID 146564790
US11008304, Example 77
CID 146225353
US11008304, Example 80
CID 148009625
US11345699, Example 84
CID 146564778
US11345699, Example 102
CID 146604069
US11345699, Example 92
CID 146604130
US11345699, Example 97
CID 146604143
US11008304, Example 79
CID 146850768
US11008304, Example 73
CID 153053949
US11008304, Example 78
CID 153276703
2-(5-fluoropyrimidin-2-yl)-N-[6-[1-(1-hydroxypropan-2-yl)tetrazol-5-yl]-2-pyridinyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 146564791
acetic acid;2-fluoro-N-[2-(2-hydrazinyl-2-oxoethyl)-4-phenylpyrimidin-5-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;2-fluoro-N-[2-[[4-[[4-(hydroxymethyl)-2-methoxyphenyl]methyl]-1,2,4-triazol-3-yl]methyl]-4-phenylpyrimidin-5-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;hydrazine;N'-[[4-(hydroxymethyl)-2-methoxyphenyl]methyl]-N,N-dimethylmethanimidamide;methyl 2-[5-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-phenylpyrimidin-2-yl]acetate;hydrate
CID 158008682

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide);2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzoic acid?
The IUPAC name of (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide);2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzoic acid (CID 165028597) is (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide);2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzoic acid.
What is the SMILES notation for (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide);2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzoic acid?
The canonical SMILES for (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide);2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzoic acid is COc1cc(C)c(-c2ccn(C(C)C)n2)cc1C(=O)Nc1cccc(-c2nnnn2[C@H](C)CO)n1.COc1cc(C)c(-c2ccn(C(C)C)n2)cc1C(=O)Nc1cccc(-c2nnnn2[C@H](C)CO)n1.COc1cc(C)c(-c2ccn(C(C)C)n2)cc1C(=O)O.C[C@H](CO)n1nnnc1-c1cccc(N)n1.
What is the InChIKey of (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide);2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzoic acid?
The InChIKey is MHAFTOPLLCQRGX-NFSNNPESSA-N. The full InChI is InChI=1S/2C24H28N8O3.C15H18N2O3.C9H12N6O/c2*1-14(2)31-10-9-19(28-31)17-12-18(21(35-5)11-15(17)3)24(34)26-22-8-6-7-20(25-22)23-27-29-30-32(23)16(4)13-33;1-9(2)17-6-5-13(16-17)11-8-12(15(18)19)14(20-4)7-10(11)3;1-6(5-16)15-9(12-13-14-15)7-3-2-4-8(10)11-7/h2*6-12,14,16,33H,13H2,1-5H3,(H,25,26,34);5-9H,1-4H3,(H,18,19);2-4,6,16H,5H2,1H3,(H2,10,11)/t2*16-;;6-/m11.1/s1.
What are the key properties of (2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide);2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzoic acid?
(2R)-2-[5-(6-amino-2-pyridinyl)tetrazol-1-yl]propan-1-ol;bis(N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide);2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzoic acid has a molecular weight of 1447.64 g/mol, XLogP of 9.62, 23 rotatable bonds, 7 hydrogen bond donors, and 31 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;bis(N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzamide);2-methoxy-4-methyl-5-(1-propan-2-ylpyrazol-3-yl)benzoic acid is sourced from PubChem (CID 165028597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).