3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-pyrrolo[2,3-c]pyridine

C16H21N7 — CID 67655236

IUPAC3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-pyrrolo[2,3-c]pyridine
SMILESc1[nH]c2cnc(-n3cnnc3)cc2c1CCCN1CCNCC1
InChIInChI=1S/C16H21N7/c1(5-22-6-3-17-4-7-22)2-13-9-18-15-10-19-16(8-14(13)15)23-11-20-21-12-23/h8-12,17-18H,1-7H2
InChIKeyDSKOVPADJJXDNA-UHFFFAOYSA-N
MW311.39 g/mol
LogP0.98
Rot. Bonds5

About 3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-pyrrolo[2,3-c]pyridine

3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-pyrrolo[2,3-c]pyridine (PubChem CID 67655236) has the molecular formula C16H21N7 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-pyrrolo[2,3-c]pyridine
PubChem CID67655236
Molecular FormulaC16H21N7
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC Name3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-pyrrolo[2,3-c]pyridine
SMILESc1[nH]c2cnc(-n3cnnc3)cc2c1CCCN1CCNCC1
InChIInChI=1S/C16H21N7/c1(5-22-6-3-17-4-7-22)2-13-9-18-15-10-19-16(8-14(13)15)23-11-20-21-12-23/h8-12,17-18H,1-7H2
InChIKeyDSKOVPADJJXDNA-UHFFFAOYSA-N
XLogP0.98
TPSA74.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-pyrrolo[2,3-c]pyridine with MolForge

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Related Compounds

5-tert-butyl-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 82277483
6-fluoro-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 82277487
3-(3-piperazin-1-ylpropyl)-1H-indole-5-carboxylic acid
CID 83947210
5-methyl-3-(3-piperazin-1-ylpropyl)-1H-indole-6-carboxylic acid
CID 83947109
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
5-bromo-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277470
6,7-dichloro-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 83949063
3-[3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 10644750
4-[2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethyl]benzonitrile
CID 18975330
3-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 10741528
5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277469
5-chloro-3-[3-[6-(3-piperazin-1-ylpropoxy)-2H-pyridin-1-yl]propyl]-1H-indole
CID 165176811

Frequently Asked Questions

What is the IUPAC name of 3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-pyrrolo[2,3-c]pyridine (CID 67655236) is 3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-pyrrolo[2,3-c]pyridine is c1[nH]c2cnc(-n3cnnc3)cc2c1CCCN1CCNCC1.
What is the InChIKey of 3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is DSKOVPADJJXDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7/c1(5-22-6-3-17-4-7-22)2-13-9-18-15-10-19-16(8-14(13)15)23-11-20-21-12-23/h8-12,17-18H,1-7H2.
What are the key properties of 3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-pyrrolo[2,3-c]pyridine?
3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 311.39 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-piperazin-1-ylpropyl)-5-(1,2,4-triazol-4-yl)-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 67655236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).