4-[5-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine

C29H32N6 — CID 68760484

IUPAC4-[5-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine
SMILESCC(C)N1CCN(Cc2cccc(-c3cncc(-c4cc(N)nc(-c5ccccn5)c4)c3)c2)CC1
InChIInChI=1S/C29H32N6/c1-21(2)35-12-10-34(11-13-35)20-22-6-5-7-23(14-22)25-15-26(19-31-18-25)24-16-28(33-29(30)17-24)27-8-3-4-9-32-27/h3-9,14-19,21H,10-13,20H2,1-2H3,(H2,30,33)
InChIKeyHRKSBYZZPBHZTL-UHFFFAOYSA-N
MW464.62 g/mol
LogP4.98
Rot. Bonds6

About 4-[5-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine

4-[5-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine (PubChem CID 68760484) has the molecular formula C29H32N6 and a molecular weight of 464.62 g/mol. Its IUPAC name is 4-[5-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound Name4-[5-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine
PubChem CID68760484
Molecular FormulaC29H32N6
Molecular Weight464.62 g/mol
Exact Mass464.27
IUPAC Name4-[5-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine
SMILESCC(C)N1CCN(Cc2cccc(-c3cncc(-c4cc(N)nc(-c5ccccn5)c4)c3)c2)CC1
InChIInChI=1S/C29H32N6/c1-21(2)35-12-10-34(11-13-35)20-22-6-5-7-23(14-22)25-15-26(19-31-18-25)24-16-28(33-29(30)17-24)27-8-3-4-9-32-27/h3-9,14-19,21H,10-13,20H2,1-2H3,(H2,30,33)
InChIKeyHRKSBYZZPBHZTL-UHFFFAOYSA-N
XLogP4.98
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.62
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine?
The IUPAC name of 4-[5-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine (CID 68760484) is 4-[5-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for 4-[5-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for 4-[5-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine is CC(C)N1CCN(Cc2cccc(-c3cncc(-c4cc(N)nc(-c5ccccn5)c4)c3)c2)CC1.
What is the InChIKey of 4-[5-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine?
The InChIKey is HRKSBYZZPBHZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6/c1-21(2)35-12-10-34(11-13-35)20-22-6-5-7-23(14-22)25-15-26(19-31-18-25)24-16-28(33-29(30)17-24)27-8-3-4-9-32-27/h3-9,14-19,21H,10-13,20H2,1-2H3,(H2,30,33).
What are the key properties of 4-[5-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine?
4-[5-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine has a molecular weight of 464.62 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-3-pyridinyl]-6-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 68760484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).