N-ethyl-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine

C25H27N7 — CID 68759295

IUPACN-ethyl-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine
SMILESCCNc1cc(-c2cncc(-c3cnn(C4CCNCC4)c3)c2)cc(-c2ccccn2)n1
InChIInChI=1S/C25H27N7/c1-2-28-25-13-18(12-24(31-25)23-5-3-4-8-29-23)19-11-20(15-27-14-19)21-16-30-32(17-21)22-6-9-26-10-7-22/h3-5,8,11-17,22,26H,2,6-7,9-10H2,1H3,(H,28,31)
InChIKeySMUWRLQWJIJYPK-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.43
Rot. Bonds6

About N-ethyl-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine

N-ethyl-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine (PubChem CID 68759295) has the molecular formula C25H27N7 and a molecular weight of 425.54 g/mol. Its IUPAC name is N-ethyl-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine
PubChem CID68759295
Molecular FormulaC25H27N7
Molecular Weight425.54 g/mol
Exact Mass425.23
IUPAC NameN-ethyl-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine
SMILESCCNc1cc(-c2cncc(-c3cnn(C4CCNCC4)c3)c2)cc(-c2ccccn2)n1
InChIInChI=1S/C25H27N7/c1-2-28-25-13-18(12-24(31-25)23-5-3-4-8-29-23)19-11-20(15-27-14-19)21-16-30-32(17-21)22-6-9-26-10-7-22/h3-5,8,11-17,22,26H,2,6-7,9-10H2,1H3,(H,28,31)
InChIKeySMUWRLQWJIJYPK-UHFFFAOYSA-N
XLogP4.43
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine?
The IUPAC name of N-ethyl-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine (CID 68759295) is N-ethyl-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for N-ethyl-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for N-ethyl-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine is CCNc1cc(-c2cncc(-c3cnn(C4CCNCC4)c3)c2)cc(-c2ccccn2)n1.
What is the InChIKey of N-ethyl-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine?
The InChIKey is SMUWRLQWJIJYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7/c1-2-28-25-13-18(12-24(31-25)23-5-3-4-8-29-23)19-11-20(15-27-14-19)21-16-30-32(17-21)22-6-9-26-10-7-22/h3-5,8,11-17,22,26H,2,6-7,9-10H2,1H3,(H,28,31).
What are the key properties of N-ethyl-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine?
N-ethyl-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine has a molecular weight of 425.54 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 68759295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).