4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]oxy-1H-indole

C19H23N5O — CID 126951530

IUPAC4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]oxy-1H-indole
SMILESc1cc(OC2CCN(Cc3nnc4n3CCC4)CC2)c2cc[nH]c2c1
InChIInChI=1S/C19H23N5O/c1-3-16-15(6-9-20-16)17(4-1)25-14-7-11-23(12-8-14)13-19-22-21-18-5-2-10-24(18)19/h1,3-4,6,9,14,20H,2,5,7-8,10-13H2
InChIKeyMOXJSOKSCQGDIR-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.75
Rot. Bonds4

About 4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]oxy-1H-indole

4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]oxy-1H-indole (PubChem CID 126951530) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]oxy-1H-indole.

Molecular Properties

Compound Name4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]oxy-1H-indole
PubChem CID126951530
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]oxy-1H-indole
SMILESc1cc(OC2CCN(Cc3nnc4n3CCC4)CC2)c2cc[nH]c2c1
InChIInChI=1S/C19H23N5O/c1-3-16-15(6-9-20-16)17(4-1)25-14-7-11-23(12-8-14)13-19-22-21-18-5-2-10-24(18)19/h1,3-4,6,9,14,20H,2,5,7-8,10-13H2
InChIKeyMOXJSOKSCQGDIR-UHFFFAOYSA-N
XLogP2.75
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]oxy-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

3-[[4-(1-methylindol-4-yl)oxypiperidin-1-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 126952047
4-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1,3-oxazole
CID 126951645
1-[2-[4-(1H-indol-4-yloxy)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 126951691
2-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 126951577
4-[1-(pyrimidin-4-ylmethyl)piperidin-4-yl]oxy-1H-indole
CID 126951608
5-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126951620
4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]oxy-1H-indole
CID 126951523
5-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 126951612
4-[1-(1,4-dioxepan-6-ylmethyl)piperidin-4-yl]oxy-1H-indole
CID 126951709
6-[[4-(1H-indol-4-yloxy)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 126951563
4-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]oxy-1H-indole
CID 126951673
2-[4-(1H-indol-4-yloxy)piperidin-1-yl]cyclobutan-1-ol
CID 126951743

Frequently Asked Questions

What is the IUPAC name of 4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]oxy-1H-indole?
The IUPAC name of 4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]oxy-1H-indole (CID 126951530) is 4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]oxy-1H-indole.
What is the SMILES notation for 4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]oxy-1H-indole?
The canonical SMILES for 4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]oxy-1H-indole is c1cc(OC2CCN(Cc3nnc4n3CCC4)CC2)c2cc[nH]c2c1.
What is the InChIKey of 4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]oxy-1H-indole?
The InChIKey is MOXJSOKSCQGDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-3-16-15(6-9-20-16)17(4-1)25-14-7-11-23(12-8-14)13-19-22-21-18-5-2-10-24(18)19/h1,3-4,6,9,14,20H,2,5,7-8,10-13H2.
What are the key properties of 4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]oxy-1H-indole?
4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]oxy-1H-indole has a molecular weight of 337.43 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]oxy-1H-indole is sourced from PubChem (CID 126951530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).