4-[[(3R,4R)-1-[(3-fluorooxetan-3-yl)methyl]-3-(4-pyrazol-1-ylphenyl)piperidin-4-yl]methyl]-5,7-dimethyl-1H-indole

C29H33FN4O — CID 169209686

IUPAC4-[[(3R,4R)-1-[(3-fluorooxetan-3-yl)methyl]-3-(4-pyrazol-1-ylphenyl)piperidin-4-yl]methyl]-5,7-dimethyl-1H-indole
SMILESCc1cc(C)c2[nH]ccc2c1C[C@@H]1CCN(CC2(F)COC2)C[C@H]1c1ccc(-n2cccn2)cc1
InChIInChI=1S/C29H33FN4O/c1-20-14-21(2)28-25(8-11-31-28)26(20)15-23-9-13-33(17-29(30)18-35-19-29)16-27(23)22-4-6-24(7-5-22)34-12-3-10-32-34/h3-8,10-12,14,23,27,31H,9,13,15-19H2,1-2H3/t23-,27-/m0/s1
InChIKeySJSVQDLPYHJYSY-HOFKKMOUSA-N
MW472.61 g/mol
LogP5.36
Rot. Bonds6

About 4-[[(3R,4R)-1-[(3-fluorooxetan-3-yl)methyl]-3-(4-pyrazol-1-ylphenyl)piperidin-4-yl]methyl]-5,7-dimethyl-1H-indole

4-[[(3R,4R)-1-[(3-fluorooxetan-3-yl)methyl]-3-(4-pyrazol-1-ylphenyl)piperidin-4-yl]methyl]-5,7-dimethyl-1H-indole (PubChem CID 169209686) has the molecular formula C29H33FN4O and a molecular weight of 472.61 g/mol. Its IUPAC name is 4-[[(3R,4R)-1-[(3-fluorooxetan-3-yl)methyl]-3-(4-pyrazol-1-ylphenyl)piperidin-4-yl]methyl]-5,7-dimethyl-1H-indole.

Molecular Properties

Compound Name4-[[(3R,4R)-1-[(3-fluorooxetan-3-yl)methyl]-3-(4-pyrazol-1-ylphenyl)piperidin-4-yl]methyl]-5,7-dimethyl-1H-indole
PubChem CID169209686
Molecular FormulaC29H33FN4O
Molecular Weight472.61 g/mol
Exact Mass472.26
IUPAC Name4-[[(3R,4R)-1-[(3-fluorooxetan-3-yl)methyl]-3-(4-pyrazol-1-ylphenyl)piperidin-4-yl]methyl]-5,7-dimethyl-1H-indole
SMILESCc1cc(C)c2[nH]ccc2c1C[C@@H]1CCN(CC2(F)COC2)C[C@H]1c1ccc(-n2cccn2)cc1
InChIInChI=1S/C29H33FN4O/c1-20-14-21(2)28-25(8-11-31-28)26(20)15-23-9-13-33(17-29(30)18-35-19-29)16-27(23)22-4-6-24(7-5-22)34-12-3-10-32-34/h3-8,10-12,14,23,27,31H,9,13,15-19H2,1-2H3/t23-,27-/m0/s1
InChIKeySJSVQDLPYHJYSY-HOFKKMOUSA-N
XLogP5.36
TPSA46.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.61
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[(3R,4R)-1-[(3-fluorooxetan-3-yl)methyl]-3-(4-pyrazol-1-ylphenyl)piperidin-4-yl]methyl]-5,7-dimethyl-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one
CID 132186817
4-({2-[6-(1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl}methyl)morpholine
CID 135559059
4-({2-[6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-1H-indol-5-yl}methyl)morpholine
CID 135559060
4-({2-[6-(1H-pyrazol-5-yl)-1H-indazol-3-yl]-1H-indol-5-yl}methyl)morpholine
CID 135559061
US10131663, Example 16
CID 134453497
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(2-methylpyrazol-3-yl)indole
CID 71508640
1-(4-Fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(1-methylpyrazol-3-yl)indole
CID 71508713
1-(4-(5-methyl-1H-indol-3-yl)piperidin-1-yl)-3-(5-(methylsulfonyl)-3-(4-(trifluoromethyl)phenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propan-2-ol
CID 10145669
2-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyridin-4-amine
CID 118959991
1-[3-(1H-indol-4-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 132186583
1-[3-(1H-indol-3-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 137250528
US10660877, Example 692
CID 139447345

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R,4R)-1-[(3-fluorooxetan-3-yl)methyl]-3-(4-pyrazol-1-ylphenyl)piperidin-4-yl]methyl]-5,7-dimethyl-1H-indole?
The IUPAC name of 4-[[(3R,4R)-1-[(3-fluorooxetan-3-yl)methyl]-3-(4-pyrazol-1-ylphenyl)piperidin-4-yl]methyl]-5,7-dimethyl-1H-indole (CID 169209686) is 4-[[(3R,4R)-1-[(3-fluorooxetan-3-yl)methyl]-3-(4-pyrazol-1-ylphenyl)piperidin-4-yl]methyl]-5,7-dimethyl-1H-indole.
What is the SMILES notation for 4-[[(3R,4R)-1-[(3-fluorooxetan-3-yl)methyl]-3-(4-pyrazol-1-ylphenyl)piperidin-4-yl]methyl]-5,7-dimethyl-1H-indole?
The canonical SMILES for 4-[[(3R,4R)-1-[(3-fluorooxetan-3-yl)methyl]-3-(4-pyrazol-1-ylphenyl)piperidin-4-yl]methyl]-5,7-dimethyl-1H-indole is Cc1cc(C)c2[nH]ccc2c1C[C@@H]1CCN(CC2(F)COC2)C[C@H]1c1ccc(-n2cccn2)cc1.
What is the InChIKey of 4-[[(3R,4R)-1-[(3-fluorooxetan-3-yl)methyl]-3-(4-pyrazol-1-ylphenyl)piperidin-4-yl]methyl]-5,7-dimethyl-1H-indole?
The InChIKey is SJSVQDLPYHJYSY-HOFKKMOUSA-N. The full InChI is InChI=1S/C29H33FN4O/c1-20-14-21(2)28-25(8-11-31-28)26(20)15-23-9-13-33(17-29(30)18-35-19-29)16-27(23)22-4-6-24(7-5-22)34-12-3-10-32-34/h3-8,10-12,14,23,27,31H,9,13,15-19H2,1-2H3/t23-,27-/m0/s1.
What are the key properties of 4-[[(3R,4R)-1-[(3-fluorooxetan-3-yl)methyl]-3-(4-pyrazol-1-ylphenyl)piperidin-4-yl]methyl]-5,7-dimethyl-1H-indole?
4-[[(3R,4R)-1-[(3-fluorooxetan-3-yl)methyl]-3-(4-pyrazol-1-ylphenyl)piperidin-4-yl]methyl]-5,7-dimethyl-1H-indole has a molecular weight of 472.61 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R,4R)-1-[(3-fluorooxetan-3-yl)methyl]-3-(4-pyrazol-1-ylphenyl)piperidin-4-yl]methyl]-5,7-dimethyl-1H-indole is sourced from PubChem (CID 169209686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).