5-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrol-3-amine

C22H23N7O — CID 71123118

IUPAC5-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrol-3-amine
SMILESCc1nnc(-c2ccc(-c3cc(-c4cc(N)c(N5CCNCC5)[nH]4)ccn3)cc2)o1
InChIInChI=1S/C22H23N7O/c1-14-27-28-22(30-14)16-4-2-15(3-5-16)19-12-17(6-7-25-19)20-13-18(23)21(26-20)29-10-8-24-9-11-29/h2-7,12-13,24,26H,8-11,23H2,1H3
InChIKeyUOMSLKDEGGZJDC-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.09
Rot. Bonds4

About 5-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrol-3-amine

5-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrol-3-amine (PubChem CID 71123118) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 5-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrol-3-amine.

Molecular Properties

Compound Name5-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrol-3-amine
PubChem CID71123118
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name5-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrol-3-amine
SMILESCc1nnc(-c2ccc(-c3cc(-c4cc(N)c(N5CCNCC5)[nH]4)ccn3)cc2)o1
InChIInChI=1S/C22H23N7O/c1-14-27-28-22(30-14)16-4-2-15(3-5-16)19-12-17(6-7-25-19)20-13-18(23)21(26-20)29-10-8-24-9-11-29/h2-7,12-13,24,26H,8-11,23H2,1H3
InChIKeyUOMSLKDEGGZJDC-UHFFFAOYSA-N
XLogP3.09
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrol-3-amine?
The IUPAC name of 5-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrol-3-amine (CID 71123118) is 5-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrol-3-amine.
What is the SMILES notation for 5-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrol-3-amine?
The canonical SMILES for 5-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrol-3-amine is Cc1nnc(-c2ccc(-c3cc(-c4cc(N)c(N5CCNCC5)[nH]4)ccn3)cc2)o1.
What is the InChIKey of 5-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrol-3-amine?
The InChIKey is UOMSLKDEGGZJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-14-27-28-22(30-14)16-4-2-15(3-5-16)19-12-17(6-7-25-19)20-13-18(23)21(26-20)29-10-8-24-9-11-29/h2-7,12-13,24,26H,8-11,23H2,1H3.
What are the key properties of 5-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrol-3-amine?
5-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrol-3-amine has a molecular weight of 401.47 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrol-3-amine is sourced from PubChem (CID 71123118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).