2-(1-methylpyrazol-4-yl)-6-[5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]pyridine

C22H23N7 — CID 121347782

IUPAC2-(1-methylpyrazol-4-yl)-6-[5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]pyridine
SMILESCn1cc(-c2cccc(-c3ccc(-c4cnn(C5CCNCC5)c4)cn3)n2)cn1
InChIInChI=1S/C22H23N7/c1-28-14-18(13-25-28)20-3-2-4-22(27-20)21-6-5-16(11-24-21)17-12-26-29(15-17)19-7-9-23-10-8-19/h2-6,11-15,19,23H,7-10H2,1H3
InChIKeyRGDBMDNMSAABFJ-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.33
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)-6-[5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]pyridine

2-(1-methylpyrazol-4-yl)-6-[5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]pyridine (PubChem CID 121347782) has the molecular formula C22H23N7 and a molecular weight of 385.48 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-6-[5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-6-[5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]pyridine
PubChem CID121347782
Molecular FormulaC22H23N7
Molecular Weight385.48 g/mol
Exact Mass385.20
IUPAC Name2-(1-methylpyrazol-4-yl)-6-[5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]pyridine
SMILESCn1cc(-c2cccc(-c3ccc(-c4cnn(C5CCNCC5)c4)cn3)n2)cn1
InChIInChI=1S/C22H23N7/c1-28-14-18(13-25-28)20-3-2-4-22(27-20)21-6-5-16(11-24-21)17-12-26-29(15-17)19-7-9-23-10-8-19/h2-6,11-15,19,23H,7-10H2,1H3
InChIKeyRGDBMDNMSAABFJ-UHFFFAOYSA-N
XLogP3.33
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-6-[5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]pyridine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-6-[5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]pyridine (CID 121347782) is 2-(1-methylpyrazol-4-yl)-6-[5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]pyridine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-6-[5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]pyridine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-6-[5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]pyridine is Cn1cc(-c2cccc(-c3ccc(-c4cnn(C5CCNCC5)c4)cn3)n2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-6-[5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]pyridine?
The InChIKey is RGDBMDNMSAABFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7/c1-28-14-18(13-25-28)20-3-2-4-22(27-20)21-6-5-16(11-24-21)17-12-26-29(15-17)19-7-9-23-10-8-19/h2-6,11-15,19,23H,7-10H2,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-6-[5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]pyridine?
2-(1-methylpyrazol-4-yl)-6-[5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]pyridine has a molecular weight of 385.48 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-6-[5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]pyridine is sourced from PubChem (CID 121347782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).