1-methyl-4-[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-2-pyridinyl]piperazine

C23H23N7 — CID 56667031

IUPAC1-methyl-4-[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-2-pyridinyl]piperazine
SMILESCN1CCN(c2ccc(-c3cc(-c4cn[nH]c4-c4ccccn4)ccn3)cn2)CC1
InChIInChI=1S/C23H23N7/c1-29-10-12-30(13-11-29)22-6-5-18(15-26-22)21-14-17(7-9-25-21)19-16-27-28-23(19)20-4-2-3-8-24-20/h2-9,14-16H,10-13H2,1H3,(H,27,28)
InChIKeyBVWNOAMYVMKTGC-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.35
Rot. Bonds4

About 1-methyl-4-[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-2-pyridinyl]piperazine

1-methyl-4-[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-2-pyridinyl]piperazine (PubChem CID 56667031) has the molecular formula C23H23N7 and a molecular weight of 397.49 g/mol. Its IUPAC name is 1-methyl-4-[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-2-pyridinyl]piperazine
PubChem CID56667031
Molecular FormulaC23H23N7
Molecular Weight397.49 g/mol
Exact Mass397.20
IUPAC Name1-methyl-4-[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-2-pyridinyl]piperazine
SMILESCN1CCN(c2ccc(-c3cc(-c4cn[nH]c4-c4ccccn4)ccn3)cn2)CC1
InChIInChI=1S/C23H23N7/c1-29-10-12-30(13-11-29)22-6-5-18(15-26-22)21-14-17(7-9-25-21)19-16-27-28-23(19)20-4-2-3-8-24-20/h2-9,14-16H,10-13H2,1H3,(H,27,28)
InChIKeyBVWNOAMYVMKTGC-UHFFFAOYSA-N
XLogP3.35
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-2-pyridinyl]piperazine?
The IUPAC name of 1-methyl-4-[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-2-pyridinyl]piperazine (CID 56667031) is 1-methyl-4-[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-2-pyridinyl]piperazine.
What is the SMILES notation for 1-methyl-4-[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-2-pyridinyl]piperazine?
The canonical SMILES for 1-methyl-4-[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-2-pyridinyl]piperazine is CN1CCN(c2ccc(-c3cc(-c4cn[nH]c4-c4ccccn4)ccn3)cn2)CC1.
What is the InChIKey of 1-methyl-4-[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-2-pyridinyl]piperazine?
The InChIKey is BVWNOAMYVMKTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7/c1-29-10-12-30(13-11-29)22-6-5-18(15-26-22)21-14-17(7-9-25-21)19-16-27-28-23(19)20-4-2-3-8-24-20/h2-9,14-16H,10-13H2,1H3,(H,27,28).
What are the key properties of 1-methyl-4-[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-2-pyridinyl]piperazine?
1-methyl-4-[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-2-pyridinyl]piperazine has a molecular weight of 397.49 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-2-pyridinyl]piperazine is sourced from PubChem (CID 56667031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).