2-[3-(4-hydroxypiperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-1-yl]-1-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone;1-[2-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxylic acid;piperidin-4-ol

C56H76N10O9 — CID 159667660

IUPAC2-[3-(4-hydroxypiperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-1-yl]-1-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone;1-[2-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxylic acid;piperidin-4-ol
SMILESCc1cccnc1OC1CC2CCC(C1)N2C(=O)Cn1nc(C(=O)N2CCC(O)CC2)c2c1CCCC2.Cc1cccnc1OC1CC2CCC(C1)N2C(=O)Cn1nc(C(=O)O)c2c1CCCC2.OC1CCNCC1
InChIInChI=1S/C28H37N5O4.C23H28N4O4.C5H11NO/c1-18-5-4-12-29-27(18)37-22-15-19-8-9-20(16-22)33(19)25(35)17-32-24-7-3-2-6-23(24)26(30-32)28(36)31-13-10-21(34)11-14-31;1-14-5-4-10-24-22(14)31-17-11-15-8-9-16(12-17)27(15)20(28)13-26-19-7-3-2-6-18(19)21(25-26)23(29)30;7-5-1-3-6-4-2-5/h4-5,12,19-22,34H,2-3,6-11,13-17H2,1H3;4-5,10,15-17H,2-3,6-9,11-13H2,1H3,(H,29,30);5-7H,1-4H2
InChIKeyMTPQROGQGRXAFK-UHFFFAOYSA-N
MW1033.28 g/mol
LogP5.16
Rot. Bonds10

About 2-[3-(4-hydroxypiperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-1-yl]-1-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone;1-[2-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxylic acid;piperidin-4-ol

2-[3-(4-hydroxypiperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-1-yl]-1-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone;1-[2-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxylic acid;piperidin-4-ol (PubChem CID 159667660) has the molecular formula C56H76N10O9 and a molecular weight of 1033.28 g/mol. Its IUPAC name is 2-[3-(4-hydroxypiperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-1-yl]-1-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone;1-[2-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxylic acid;piperidin-4-ol.

Molecular Properties

Compound Name2-[3-(4-hydroxypiperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-1-yl]-1-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone;1-[2-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxylic acid;piperidin-4-ol
PubChem CID159667660
Molecular FormulaC56H76N10O9
Molecular Weight1033.28 g/mol
Exact Mass1032.58
IUPAC Name2-[3-(4-hydroxypiperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-1-yl]-1-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone;1-[2-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxylic acid;piperidin-4-ol
SMILESCc1cccnc1OC1CC2CCC(C1)N2C(=O)Cn1nc(C(=O)N2CCC(O)CC2)c2c1CCCC2.Cc1cccnc1OC1CC2CCC(C1)N2C(=O)Cn1nc(C(=O)O)c2c1CCCC2.OC1CCNCC1
InChIInChI=1S/C28H37N5O4.C23H28N4O4.C5H11NO/c1-18-5-4-12-29-27(18)37-22-15-19-8-9-20(16-22)33(19)25(35)17-32-24-7-3-2-6-23(24)26(30-32)28(36)31-13-10-21(34)11-14-31;1-14-5-4-10-24-22(14)31-17-11-15-8-9-16(12-17)27(15)20(28)13-26-19-7-3-2-6-18(19)21(25-26)23(29)30;7-5-1-3-6-4-2-5/h4-5,12,19-22,34H,2-3,6-11,13-17H2,1H3;4-5,10,15-17H,2-3,6-9,11-13H2,1H3,(H,29,30);5-7H,1-4H2
InChIKeyMTPQROGQGRXAFK-UHFFFAOYSA-N
XLogP5.16
TPSA230.60 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001033.28
LogP ≤ 55.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 2-[3-(4-hydroxypiperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-1-yl]-1-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone;1-[2-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxylic acid;piperidin-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-hydroxypiperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-1-yl]-1-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone;1-[2-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxylic acid;piperidin-4-ol?
The IUPAC name of 2-[3-(4-hydroxypiperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-1-yl]-1-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone;1-[2-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxylic acid;piperidin-4-ol (CID 159667660) is 2-[3-(4-hydroxypiperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-1-yl]-1-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone;1-[2-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxylic acid;piperidin-4-ol.
What is the SMILES notation for 2-[3-(4-hydroxypiperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-1-yl]-1-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone;1-[2-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxylic acid;piperidin-4-ol?
The canonical SMILES for 2-[3-(4-hydroxypiperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-1-yl]-1-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone;1-[2-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxylic acid;piperidin-4-ol is Cc1cccnc1OC1CC2CCC(C1)N2C(=O)Cn1nc(C(=O)N2CCC(O)CC2)c2c1CCCC2.Cc1cccnc1OC1CC2CCC(C1)N2C(=O)Cn1nc(C(=O)O)c2c1CCCC2.OC1CCNCC1.
What is the InChIKey of 2-[3-(4-hydroxypiperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-1-yl]-1-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone;1-[2-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxylic acid;piperidin-4-ol?
The InChIKey is MTPQROGQGRXAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O4.C23H28N4O4.C5H11NO/c1-18-5-4-12-29-27(18)37-22-15-19-8-9-20(16-22)33(19)25(35)17-32-24-7-3-2-6-23(24)26(30-32)28(36)31-13-10-21(34)11-14-31;1-14-5-4-10-24-22(14)31-17-11-15-8-9-16(12-17)27(15)20(28)13-26-19-7-3-2-6-18(19)21(25-26)23(29)30;7-5-1-3-6-4-2-5/h4-5,12,19-22,34H,2-3,6-11,13-17H2,1H3;4-5,10,15-17H,2-3,6-9,11-13H2,1H3,(H,29,30);5-7H,1-4H2.
What are the key properties of 2-[3-(4-hydroxypiperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-1-yl]-1-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone;1-[2-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxylic acid;piperidin-4-ol?
2-[3-(4-hydroxypiperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-1-yl]-1-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone;1-[2-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxylic acid;piperidin-4-ol has a molecular weight of 1033.28 g/mol, XLogP of 5.16, 10 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-hydroxypiperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-1-yl]-1-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone;1-[2-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxylic acid;piperidin-4-ol is sourced from PubChem (CID 159667660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).