1-(2,6-dimethyl-4-pyridinyl)-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine

C19H23N5O — CID 56915707

IUPAC1-(2,6-dimethyl-4-pyridinyl)-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine
SMILESCc1cc(N2CCN(Cc3ccc(-c4ccn[nH]4)o3)CC2)cc(C)n1
InChIInChI=1S/C19H23N5O/c1-14-11-16(12-15(2)21-14)24-9-7-23(8-10-24)13-17-3-4-19(25-17)18-5-6-20-22-18/h3-6,11-12H,7-10,13H2,1-2H3,(H,20,22)
InChIKeySMJDGVXQVDYHMN-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.00
Rot. Bonds4

About 1-(2,6-dimethyl-4-pyridinyl)-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine

1-(2,6-dimethyl-4-pyridinyl)-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine (PubChem CID 56915707) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-(2,6-dimethyl-4-pyridinyl)-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(2,6-dimethyl-4-pyridinyl)-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine
PubChem CID56915707
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name1-(2,6-dimethyl-4-pyridinyl)-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine
SMILESCc1cc(N2CCN(Cc3ccc(-c4ccn[nH]4)o3)CC2)cc(C)n1
InChIInChI=1S/C19H23N5O/c1-14-11-16(12-15(2)21-14)24-9-7-23(8-10-24)13-17-3-4-19(25-17)18-5-6-20-22-18/h3-6,11-12H,7-10,13H2,1-2H3,(H,20,22)
InChIKeySMJDGVXQVDYHMN-UHFFFAOYSA-N
XLogP3.00
TPSA61.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine?
The IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine (CID 56915707) is 1-(2,6-dimethyl-4-pyridinyl)-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine.
What is the SMILES notation for 1-(2,6-dimethyl-4-pyridinyl)-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine?
The canonical SMILES for 1-(2,6-dimethyl-4-pyridinyl)-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine is Cc1cc(N2CCN(Cc3ccc(-c4ccn[nH]4)o3)CC2)cc(C)n1.
What is the InChIKey of 1-(2,6-dimethyl-4-pyridinyl)-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine?
The InChIKey is SMJDGVXQVDYHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-14-11-16(12-15(2)21-14)24-9-7-23(8-10-24)13-17-3-4-19(25-17)18-5-6-20-22-18/h3-6,11-12H,7-10,13H2,1-2H3,(H,20,22).
What are the key properties of 1-(2,6-dimethyl-4-pyridinyl)-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine?
1-(2,6-dimethyl-4-pyridinyl)-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine has a molecular weight of 337.43 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-4-pyridinyl)-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine is sourced from PubChem (CID 56915707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).