5-[2-(4-phenylimidazol-1-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile

C23H21N7 — CID 24962641

IUPAC5-[2-(4-phenylimidazol-1-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile
SMILESN#Cc1cc(-c2ccnc(-n3cnc(-c4ccccc4)c3)c2)[nH]c1N1CCNCC1
InChIInChI=1S/C23H21N7/c24-14-19-12-20(28-23(19)29-10-8-25-9-11-29)18-6-7-26-22(13-18)30-15-21(27-16-30)17-4-2-1-3-5-17/h1-7,12-13,15-16,25,28H,8-11H2
InChIKeyMHKSCYGWEHFQKX-UHFFFAOYSA-N
MW395.47 g/mol
LogP3.21
Rot. Bonds4

About 5-[2-(4-phenylimidazol-1-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile

5-[2-(4-phenylimidazol-1-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile (PubChem CID 24962641) has the molecular formula C23H21N7 and a molecular weight of 395.47 g/mol. Its IUPAC name is 5-[2-(4-phenylimidazol-1-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name5-[2-(4-phenylimidazol-1-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile
PubChem CID24962641
Molecular FormulaC23H21N7
Molecular Weight395.47 g/mol
Exact Mass395.19
IUPAC Name5-[2-(4-phenylimidazol-1-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile
SMILESN#Cc1cc(-c2ccnc(-n3cnc(-c4ccccc4)c3)c2)[nH]c1N1CCNCC1
InChIInChI=1S/C23H21N7/c24-14-19-12-20(28-23(19)29-10-8-25-9-11-29)18-6-7-26-22(13-18)30-15-21(27-16-30)17-4-2-1-3-5-17/h1-7,12-13,15-16,25,28H,8-11H2
InChIKeyMHKSCYGWEHFQKX-UHFFFAOYSA-N
XLogP3.21
TPSA85.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-phenylimidazol-1-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile?
The IUPAC name of 5-[2-(4-phenylimidazol-1-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile (CID 24962641) is 5-[2-(4-phenylimidazol-1-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 5-[2-(4-phenylimidazol-1-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 5-[2-(4-phenylimidazol-1-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile is N#Cc1cc(-c2ccnc(-n3cnc(-c4ccccc4)c3)c2)[nH]c1N1CCNCC1.
What is the InChIKey of 5-[2-(4-phenylimidazol-1-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile?
The InChIKey is MHKSCYGWEHFQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7/c24-14-19-12-20(28-23(19)29-10-8-25-9-11-29)18-6-7-26-22(13-18)30-15-21(27-16-30)17-4-2-1-3-5-17/h1-7,12-13,15-16,25,28H,8-11H2.
What are the key properties of 5-[2-(4-phenylimidazol-1-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile?
5-[2-(4-phenylimidazol-1-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile has a molecular weight of 395.47 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-phenylimidazol-1-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 24962641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).