2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]ethanone

C24H24N8OS — CID 71679800

IUPAC2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]ethanone
SMILESC[C@@H]1CN(c2scnc2-c2nc3ccccc3n2C)CCN1C(=O)Cn1cnc2cccnc21
InChIInChI=1S/C24H24N8OS/c1-16-12-30(10-11-32(16)20(33)13-31-14-26-18-7-5-9-25-22(18)31)24-21(27-15-34-24)23-28-17-6-3-4-8-19(17)29(23)2/h3-9,14-16H,10-13H2,1-2H3/t16-/m1/s1
InChIKeyFZDCGDPJOYURJH-MRXNPFEDSA-N
MW472.58 g/mol
LogP3.18
Rot. Bonds4

About 2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]ethanone

2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]ethanone (PubChem CID 71679800) has the molecular formula C24H24N8OS and a molecular weight of 472.58 g/mol. Its IUPAC name is 2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]ethanone
PubChem CID71679800
Molecular FormulaC24H24N8OS
Molecular Weight472.58 g/mol
Exact Mass472.18
IUPAC Name2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]ethanone
SMILESC[C@@H]1CN(c2scnc2-c2nc3ccccc3n2C)CCN1C(=O)Cn1cnc2cccnc21
InChIInChI=1S/C24H24N8OS/c1-16-12-30(10-11-32(16)20(33)13-31-14-26-18-7-5-9-25-22(18)31)24-21(27-15-34-24)23-28-17-6-3-4-8-19(17)29(23)2/h3-9,14-16H,10-13H2,1-2H3/t16-/m1/s1
InChIKeyFZDCGDPJOYURJH-MRXNPFEDSA-N
XLogP3.18
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.58
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]ethanone (CID 71679800) is 2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]ethanone is C[C@@H]1CN(c2scnc2-c2nc3ccccc3n2C)CCN1C(=O)Cn1cnc2cccnc21.
What is the InChIKey of 2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]ethanone?
The InChIKey is FZDCGDPJOYURJH-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H24N8OS/c1-16-12-30(10-11-32(16)20(33)13-31-14-26-18-7-5-9-25-22(18)31)24-21(27-15-34-24)23-28-17-6-3-4-8-19(17)29(23)2/h3-9,14-16H,10-13H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]ethanone?
2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]ethanone has a molecular weight of 472.58 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[4,5-b]pyridin-3-yl-1-[(2R)-2-methyl-4-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 71679800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).