3-[1-[1-(pyridin-2-ylmethyl)piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole

C23H27N7 — CID 67654105

IUPAC3-[1-[1-(pyridin-2-ylmethyl)piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
SMILESCCC(c1c[nH]c2ccc(-n3cnnc3)cc12)C1CNCCN1Cc1ccccn1
InChIInChI=1S/C23H27N7/c1-2-19(23-13-24-9-10-29(23)14-17-5-3-4-8-25-17)21-12-26-22-7-6-18(11-20(21)22)30-15-27-28-16-30/h3-8,11-12,15-16,19,23-24,26H,2,9-10,13-14H2,1H3
InChIKeyKCHXPFBIEBGOIG-UHFFFAOYSA-N
MW401.52 g/mol
LogP3.11
Rot. Bonds6

About 3-[1-[1-(pyridin-2-ylmethyl)piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole

3-[1-[1-(pyridin-2-ylmethyl)piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole (PubChem CID 67654105) has the molecular formula C23H27N7 and a molecular weight of 401.52 g/mol. Its IUPAC name is 3-[1-[1-(pyridin-2-ylmethyl)piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole.

Molecular Properties

Compound Name3-[1-[1-(pyridin-2-ylmethyl)piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
PubChem CID67654105
Molecular FormulaC23H27N7
Molecular Weight401.52 g/mol
Exact Mass401.23
IUPAC Name3-[1-[1-(pyridin-2-ylmethyl)piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
SMILESCCC(c1c[nH]c2ccc(-n3cnnc3)cc12)C1CNCCN1Cc1ccccn1
InChIInChI=1S/C23H27N7/c1-2-19(23-13-24-9-10-29(23)14-17-5-3-4-8-25-17)21-12-26-22-7-6-18(11-20(21)22)30-15-27-28-16-30/h3-8,11-12,15-16,19,23-24,26H,2,9-10,13-14H2,1H3
InChIKeyKCHXPFBIEBGOIG-UHFFFAOYSA-N
XLogP3.11
TPSA74.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.52
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[1-[1-(pyridin-2-ylmethyl)piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole with MolForge

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Related Compounds

3-[1-(1-benzylpiperazin-2-yl)propyl]-5-(1,2,4-triazol-1-ylmethyl)-1H-indole
CID 67655176
3-[3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 10644750
(2R)-2-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 67972243
3-[3-[1-(furan-3-ylmethyl)piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 67655065
N,N-diethyl-2-[1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide
CID 154706604
2-phenyl-2-[2-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethanamine
CID 67593643
2-(2-chlorophenyl)-1-(pyridin-2-ylmethyl)piperazine
CID 120768964
1-piperazin-1-yl-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol
CID 18975339
5-methylsulfanyl-3-[[(2R)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 176854792
3-[(2-methylpiperazin-1-yl)methyl]pyridazine;hydrochloride
CID 171779875
3-[[(2R)-2-methylpiperazin-1-yl]methyl]pyridazine;hydrochloride
CID 171779742
2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 120768365

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(pyridin-2-ylmethyl)piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The IUPAC name of 3-[1-[1-(pyridin-2-ylmethyl)piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole (CID 67654105) is 3-[1-[1-(pyridin-2-ylmethyl)piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole.
What is the SMILES notation for 3-[1-[1-(pyridin-2-ylmethyl)piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The canonical SMILES for 3-[1-[1-(pyridin-2-ylmethyl)piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole is CCC(c1c[nH]c2ccc(-n3cnnc3)cc12)C1CNCCN1Cc1ccccn1.
What is the InChIKey of 3-[1-[1-(pyridin-2-ylmethyl)piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The InChIKey is KCHXPFBIEBGOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7/c1-2-19(23-13-24-9-10-29(23)14-17-5-3-4-8-25-17)21-12-26-22-7-6-18(11-20(21)22)30-15-27-28-16-30/h3-8,11-12,15-16,19,23-24,26H,2,9-10,13-14H2,1H3.
What are the key properties of 3-[1-[1-(pyridin-2-ylmethyl)piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
3-[1-[1-(pyridin-2-ylmethyl)piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole has a molecular weight of 401.52 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(pyridin-2-ylmethyl)piperazin-2-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole is sourced from PubChem (CID 67654105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).