4-[1-[[4-(3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-2-pyridin-2-yl-1,3-thiazole

C34H29N5S — CID 69464226

IUPAC4-[1-[[4-(3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-2-pyridin-2-yl-1,3-thiazole
SMILESc1ccc(-c2cc3cnccc3nc2-c2ccc(CN3CCC(c4csc(-c5ccccn5)n4)CC3)cc2)cc1
InChIInChI=1S/C34H29N5S/c1-2-6-25(7-3-1)29-20-28-21-35-17-13-30(28)37-33(29)27-11-9-24(10-12-27)22-39-18-14-26(15-19-39)32-23-40-34(38-32)31-8-4-5-16-36-31/h1-13,16-17,20-21,23,26H,14-15,18-19,22H2
InChIKeyPLIOPJGEIWDECE-UHFFFAOYSA-N
MW539.71 g/mol
LogP7.86
Rot. Bonds6

About 4-[1-[[4-(3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-2-pyridin-2-yl-1,3-thiazole

4-[1-[[4-(3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-2-pyridin-2-yl-1,3-thiazole (PubChem CID 69464226) has the molecular formula C34H29N5S and a molecular weight of 539.71 g/mol. Its IUPAC name is 4-[1-[[4-(3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-2-pyridin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[1-[[4-(3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-2-pyridin-2-yl-1,3-thiazole
PubChem CID69464226
Molecular FormulaC34H29N5S
Molecular Weight539.71 g/mol
Exact Mass539.21
IUPAC Name4-[1-[[4-(3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-2-pyridin-2-yl-1,3-thiazole
SMILESc1ccc(-c2cc3cnccc3nc2-c2ccc(CN3CCC(c4csc(-c5ccccn5)n4)CC3)cc2)cc1
InChIInChI=1S/C34H29N5S/c1-2-6-25(7-3-1)29-20-28-21-35-17-13-30(28)37-33(29)27-11-9-24(10-12-27)22-39-18-14-26(15-19-39)32-23-40-34(38-32)31-8-4-5-16-36-31/h1-13,16-17,20-21,23,26H,14-15,18-19,22H2
InChIKeyPLIOPJGEIWDECE-UHFFFAOYSA-N
XLogP7.86
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.71
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[[4-(3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-2-pyridin-2-yl-1,3-thiazole?
The IUPAC name of 4-[1-[[4-(3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-2-pyridin-2-yl-1,3-thiazole (CID 69464226) is 4-[1-[[4-(3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-2-pyridin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[1-[[4-(3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-2-pyridin-2-yl-1,3-thiazole?
The canonical SMILES for 4-[1-[[4-(3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-2-pyridin-2-yl-1,3-thiazole is c1ccc(-c2cc3cnccc3nc2-c2ccc(CN3CCC(c4csc(-c5ccccn5)n4)CC3)cc2)cc1.
What is the InChIKey of 4-[1-[[4-(3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-2-pyridin-2-yl-1,3-thiazole?
The InChIKey is PLIOPJGEIWDECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N5S/c1-2-6-25(7-3-1)29-20-28-21-35-17-13-30(28)37-33(29)27-11-9-24(10-12-27)22-39-18-14-26(15-19-39)32-23-40-34(38-32)31-8-4-5-16-36-31/h1-13,16-17,20-21,23,26H,14-15,18-19,22H2.
What are the key properties of 4-[1-[[4-(3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-2-pyridin-2-yl-1,3-thiazole?
4-[1-[[4-(3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-2-pyridin-2-yl-1,3-thiazole has a molecular weight of 539.71 g/mol, XLogP of 7.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[4-(3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]-2-pyridin-2-yl-1,3-thiazole is sourced from PubChem (CID 69464226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).