(2R,3R)-2-phenyl-1-[[(3R)-1-[2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-yl]methyl]piperidin-3-ol

C28H34N6O — CID 18665176

IUPAC(2R,3R)-2-phenyl-1-[[(3R)-1-[2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-yl]methyl]piperidin-3-ol
SMILESO[C@@H]1CCCN(C[C@@H]2CCN(CCc3c[nH]c4ccc(-n5cncn5)cc34)C2)[C@@H]1c1ccccc1
InChIInChI=1S/C28H34N6O/c35-27-7-4-12-33(28(27)22-5-2-1-3-6-22)18-21-10-13-32(17-21)14-11-23-16-30-26-9-8-24(15-25(23)26)34-20-29-19-31-34/h1-3,5-6,8-9,15-16,19-21,27-28,30,35H,4,7,10-14,17-18H2/t21-,27-,28-/m1/s1
InChIKeyMZKVYUQPNXJQTL-KPGYKUMBSA-N
MW470.62 g/mol
LogP3.81
Rot. Bonds7

About (2R,3R)-2-phenyl-1-[[(3R)-1-[2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-yl]methyl]piperidin-3-ol

(2R,3R)-2-phenyl-1-[[(3R)-1-[2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-yl]methyl]piperidin-3-ol (PubChem CID 18665176) has the molecular formula C28H34N6O and a molecular weight of 470.62 g/mol. Its IUPAC name is (2R,3R)-2-phenyl-1-[[(3R)-1-[2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(2R,3R)-2-phenyl-1-[[(3R)-1-[2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-yl]methyl]piperidin-3-ol
PubChem CID18665176
Molecular FormulaC28H34N6O
Molecular Weight470.62 g/mol
Exact Mass470.28
IUPAC Name(2R,3R)-2-phenyl-1-[[(3R)-1-[2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-yl]methyl]piperidin-3-ol
SMILESO[C@@H]1CCCN(C[C@@H]2CCN(CCc3c[nH]c4ccc(-n5cncn5)cc34)C2)[C@@H]1c1ccccc1
InChIInChI=1S/C28H34N6O/c35-27-7-4-12-33(28(27)22-5-2-1-3-6-22)18-21-10-13-32(17-21)14-11-23-16-30-26-9-8-24(15-25(23)26)34-20-29-19-31-34/h1-3,5-6,8-9,15-16,19-21,27-28,30,35H,4,7,10-14,17-18H2/t21-,27-,28-/m1/s1
InChIKeyMZKVYUQPNXJQTL-KPGYKUMBSA-N
XLogP3.81
TPSA73.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R,3R)-2-phenyl-1-[[(3R)-1-[2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-yl]methyl]piperidin-3-ol 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

N-benzyl-1-[(3S)-1-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-yl]methanamine
CID 10386282
(3R)-3-phenyl-4-[[(3R)-1-[2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethyl]pyrrolidin-3-yl]methyl]morpholine
CID 54391884
N-[(1R)-1-phenylethyl]-1-[3-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]propyl]piperidin-4-amine
CID 10550488
2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethanamine
CID 10443732
(3R)-N-benzyl-N-methyl-1-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-amine
CID 10621020
1-[2-(1H-indol-3-yl)ethyl]piperidin-3-ol
CID 3054781
N-benzyl-N-methyl-1-[1-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]azetidin-3-yl]methanamine
CID 11625498
3-[2-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 10787240
3-[2-[(2R)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]ethyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 10834908
4-[3-[[1-[(1-benzylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methyl]-1H-indol-5-yl]-2-methylbutan-2-ol
CID 19077573
(2R)-2-phenyl-2-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]methylamino]ethanol
CID 10766321
3-phenyl-2-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]propan-1-ol
CID 70104878

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-phenyl-1-[[(3R)-1-[2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-yl]methyl]piperidin-3-ol?
The IUPAC name of (2R,3R)-2-phenyl-1-[[(3R)-1-[2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-yl]methyl]piperidin-3-ol (CID 18665176) is (2R,3R)-2-phenyl-1-[[(3R)-1-[2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-yl]methyl]piperidin-3-ol.
What is the SMILES notation for (2R,3R)-2-phenyl-1-[[(3R)-1-[2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-yl]methyl]piperidin-3-ol?
The canonical SMILES for (2R,3R)-2-phenyl-1-[[(3R)-1-[2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-yl]methyl]piperidin-3-ol is O[C@@H]1CCCN(C[C@@H]2CCN(CCc3c[nH]c4ccc(-n5cncn5)cc34)C2)[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-2-phenyl-1-[[(3R)-1-[2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-yl]methyl]piperidin-3-ol?
The InChIKey is MZKVYUQPNXJQTL-KPGYKUMBSA-N. The full InChI is InChI=1S/C28H34N6O/c35-27-7-4-12-33(28(27)22-5-2-1-3-6-22)18-21-10-13-32(17-21)14-11-23-16-30-26-9-8-24(15-25(23)26)34-20-29-19-31-34/h1-3,5-6,8-9,15-16,19-21,27-28,30,35H,4,7,10-14,17-18H2/t21-,27-,28-/m1/s1.
What are the key properties of (2R,3R)-2-phenyl-1-[[(3R)-1-[2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-yl]methyl]piperidin-3-ol?
(2R,3R)-2-phenyl-1-[[(3R)-1-[2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-yl]methyl]piperidin-3-ol has a molecular weight of 470.62 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-phenyl-1-[[(3R)-1-[2-[5-(1,2,4-triazol-1-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 18665176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).