5-[2-(1-benzylpyrazol-4-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carboxamide

C24H25N7O — CID 24959355

IUPAC5-[2-(1-benzylpyrazol-4-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccnc(-c3cnn(Cc4ccccc4)c3)c2)[nH]c1N1CCNCC1
InChIInChI=1S/C24H25N7O/c25-23(32)20-13-22(29-24(20)30-10-8-26-9-11-30)18-6-7-27-21(12-18)19-14-28-31(16-19)15-17-4-2-1-3-5-17/h1-7,12-14,16,26,29H,8-11,15H2,(H2,25,32)
InChIKeyQZUXBDDAGMGSHK-UHFFFAOYSA-N
MW427.51 g/mol
LogP2.50
Rot. Bonds6

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

5-[2-(1-benzylpyrazol-4-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carboxamide (PubChem CID 24959355) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 5-[2-(1-benzylpyrazol-4-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[2-(1-benzylpyrazol-4-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carboxamide
PubChem CID24959355
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name5-[2-(1-benzylpyrazol-4-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1cc(-c2ccnc(-c3cnn(Cc4ccccc4)c3)c2)[nH]c1N1CCNCC1
InChIInChI=1S/C24H25N7O/c25-23(32)20-13-22(29-24(20)30-10-8-26-9-11-30)18-6-7-27-21(12-18)19-14-28-31(16-19)15-17-4-2-1-3-5-17/h1-7,12-14,16,26,29H,8-11,15H2,(H2,25,32)
InChIKeyQZUXBDDAGMGSHK-UHFFFAOYSA-N
XLogP2.50
TPSA104.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-benzylpyrazol-4-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-[2-(1-benzylpyrazol-4-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carboxamide (CID 24959355) is 5-[2-(1-benzylpyrazol-4-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-[2-(1-benzylpyrazol-4-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-[2-(1-benzylpyrazol-4-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carboxamide is NC(=O)c1cc(-c2ccnc(-c3cnn(Cc4ccccc4)c3)c2)[nH]c1N1CCNCC1.
What is the InChIKey of 5-[2-(1-benzylpyrazol-4-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carboxamide?
The InChIKey is QZUXBDDAGMGSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c25-23(32)20-13-22(29-24(20)30-10-8-26-9-11-30)18-6-7-27-21(12-18)19-14-28-31(16-19)15-17-4-2-1-3-5-17/h1-7,12-14,16,26,29H,8-11,15H2,(H2,25,32).
What are the key properties of 5-[2-(1-benzylpyrazol-4-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carboxamide?
5-[2-(1-benzylpyrazol-4-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-benzylpyrazol-4-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 24959355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).