4-(4-chlorophenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridin-3-ylpyrimidine

C25H29ClN6 — CID 156865958

IUPAC4-(4-chlorophenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridin-3-ylpyrimidine
SMILESCN1CCN(C2CCN(c3cc(-c4ccc(Cl)cc4)nc(-c4cccnc4)n3)CC2)CC1
InChIInChI=1S/C25H29ClN6/c1-30-13-15-31(16-14-30)22-8-11-32(12-9-22)24-17-23(19-4-6-21(26)7-5-19)28-25(29-24)20-3-2-10-27-18-20/h2-7,10,17-18,22H,8-9,11-16H2,1H3
InChIKeyXXYXHJRNDUZUPV-UHFFFAOYSA-N
MW449.00 g/mol
LogP4.08
Rot. Bonds4

About 4-(4-chlorophenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridin-3-ylpyrimidine

4-(4-chlorophenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridin-3-ylpyrimidine (PubChem CID 156865958) has the molecular formula C25H29ClN6 and a molecular weight of 449.00 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridin-3-ylpyrimidine
PubChem CID156865958
Molecular FormulaC25H29ClN6
Molecular Weight449.00 g/mol
Exact Mass448.21
IUPAC Name4-(4-chlorophenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridin-3-ylpyrimidine
SMILESCN1CCN(C2CCN(c3cc(-c4ccc(Cl)cc4)nc(-c4cccnc4)n3)CC2)CC1
InChIInChI=1S/C25H29ClN6/c1-30-13-15-31(16-14-30)22-8-11-32(12-9-22)24-17-23(19-4-6-21(26)7-5-19)28-25(29-24)20-3-2-10-27-18-20/h2-7,10,17-18,22H,8-9,11-16H2,1H3
InChIKeyXXYXHJRNDUZUPV-UHFFFAOYSA-N
XLogP4.08
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.00
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridin-3-ylpyrimidine?
The IUPAC name of 4-(4-chlorophenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridin-3-ylpyrimidine (CID 156865958) is 4-(4-chlorophenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridin-3-ylpyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridin-3-ylpyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridin-3-ylpyrimidine is CN1CCN(C2CCN(c3cc(-c4ccc(Cl)cc4)nc(-c4cccnc4)n3)CC2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridin-3-ylpyrimidine?
The InChIKey is XXYXHJRNDUZUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN6/c1-30-13-15-31(16-14-30)22-8-11-32(12-9-22)24-17-23(19-4-6-21(26)7-5-19)28-25(29-24)20-3-2-10-27-18-20/h2-7,10,17-18,22H,8-9,11-16H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridin-3-ylpyrimidine?
4-(4-chlorophenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridin-3-ylpyrimidine has a molecular weight of 449.00 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridin-3-ylpyrimidine is sourced from PubChem (CID 156865958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).