4-[[2-[(4-methylpiperazin-1-yl)methyl]imidazo[4,5-b]pyridin-3-yl]methyl]-1,3-thiazole

C16H20N6S — CID 19911570

IUPAC4-[[2-[(4-methylpiperazin-1-yl)methyl]imidazo[4,5-b]pyridin-3-yl]methyl]-1,3-thiazole
SMILESCN1CCN(Cc2nc3cccnc3n2Cc2cscn2)CC1
InChIInChI=1S/C16H20N6S/c1-20-5-7-21(8-6-20)10-15-19-14-3-2-4-17-16(14)22(15)9-13-11-23-12-18-13/h2-4,11-12H,5-10H2,1H3
InChIKeyZMEPRNALVTWLJM-UHFFFAOYSA-N
MW328.44 g/mol
LogP1.68
Rot. Bonds4

About 4-[[2-[(4-methylpiperazin-1-yl)methyl]imidazo[4,5-b]pyridin-3-yl]methyl]-1,3-thiazole

4-[[2-[(4-methylpiperazin-1-yl)methyl]imidazo[4,5-b]pyridin-3-yl]methyl]-1,3-thiazole (PubChem CID 19911570) has the molecular formula C16H20N6S and a molecular weight of 328.44 g/mol. Its IUPAC name is 4-[[2-[(4-methylpiperazin-1-yl)methyl]imidazo[4,5-b]pyridin-3-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[2-[(4-methylpiperazin-1-yl)methyl]imidazo[4,5-b]pyridin-3-yl]methyl]-1,3-thiazole
PubChem CID19911570
Molecular FormulaC16H20N6S
Molecular Weight328.44 g/mol
Exact Mass328.15
IUPAC Name4-[[2-[(4-methylpiperazin-1-yl)methyl]imidazo[4,5-b]pyridin-3-yl]methyl]-1,3-thiazole
SMILESCN1CCN(Cc2nc3cccnc3n2Cc2cscn2)CC1
InChIInChI=1S/C16H20N6S/c1-20-5-7-21(8-6-20)10-15-19-14-3-2-4-17-16(14)22(15)9-13-11-23-12-18-13/h2-4,11-12H,5-10H2,1H3
InChIKeyZMEPRNALVTWLJM-UHFFFAOYSA-N
XLogP1.68
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4-methylpiperazin-1-yl)methyl]imidazo[4,5-b]pyridin-3-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[2-[(4-methylpiperazin-1-yl)methyl]imidazo[4,5-b]pyridin-3-yl]methyl]-1,3-thiazole (CID 19911570) is 4-[[2-[(4-methylpiperazin-1-yl)methyl]imidazo[4,5-b]pyridin-3-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[2-[(4-methylpiperazin-1-yl)methyl]imidazo[4,5-b]pyridin-3-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[2-[(4-methylpiperazin-1-yl)methyl]imidazo[4,5-b]pyridin-3-yl]methyl]-1,3-thiazole is CN1CCN(Cc2nc3cccnc3n2Cc2cscn2)CC1.
What is the InChIKey of 4-[[2-[(4-methylpiperazin-1-yl)methyl]imidazo[4,5-b]pyridin-3-yl]methyl]-1,3-thiazole?
The InChIKey is ZMEPRNALVTWLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6S/c1-20-5-7-21(8-6-20)10-15-19-14-3-2-4-17-16(14)22(15)9-13-11-23-12-18-13/h2-4,11-12H,5-10H2,1H3.
What are the key properties of 4-[[2-[(4-methylpiperazin-1-yl)methyl]imidazo[4,5-b]pyridin-3-yl]methyl]-1,3-thiazole?
4-[[2-[(4-methylpiperazin-1-yl)methyl]imidazo[4,5-b]pyridin-3-yl]methyl]-1,3-thiazole has a molecular weight of 328.44 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4-methylpiperazin-1-yl)methyl]imidazo[4,5-b]pyridin-3-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 19911570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).