1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-ethylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone

C24H24N8OS — CID 71680140

IUPAC1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-ethylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
SMILESCC[C@@H]1CN(c2scnc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21
InChIInChI=1S/C24H24N8OS/c1-2-16-12-30(24-21(27-15-34-24)22-28-17-6-3-4-7-18(17)29-22)10-11-32(16)20(33)13-31-14-26-19-8-5-9-25-23(19)31/h3-9,14-16H,2,10-13H2,1H3,(H,28,29)/t16-/m1/s1
InChIKeyAXOCJQGAWLLMQP-MRXNPFEDSA-N
MW472.58 g/mol
LogP3.56
Rot. Bonds5

About 1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-ethylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone

1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-ethylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone (PubChem CID 71680140) has the molecular formula C24H24N8OS and a molecular weight of 472.58 g/mol. Its IUPAC name is 1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-ethylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-ethylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
PubChem CID71680140
Molecular FormulaC24H24N8OS
Molecular Weight472.58 g/mol
Exact Mass472.18
IUPAC Name1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-ethylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone
SMILESCC[C@@H]1CN(c2scnc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21
InChIInChI=1S/C24H24N8OS/c1-2-16-12-30(24-21(27-15-34-24)22-28-17-6-3-4-7-18(17)29-22)10-11-32(16)20(33)13-31-14-26-19-8-5-9-25-23(19)31/h3-9,14-16H,2,10-13H2,1H3,(H,28,29)/t16-/m1/s1
InChIKeyAXOCJQGAWLLMQP-MRXNPFEDSA-N
XLogP3.56
TPSA95.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.58
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-ethylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-ethylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone?
The IUPAC name of 1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-ethylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone (CID 71680140) is 1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-ethylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone.
What is the SMILES notation for 1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-ethylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone?
The canonical SMILES for 1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-ethylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone is CC[C@@H]1CN(c2scnc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1cnc2cccnc21.
What is the InChIKey of 1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-ethylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone?
The InChIKey is AXOCJQGAWLLMQP-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H24N8OS/c1-2-16-12-30(24-21(27-15-34-24)22-28-17-6-3-4-7-18(17)29-22)10-11-32(16)20(33)13-31-14-26-19-8-5-9-25-23(19)31/h3-9,14-16H,2,10-13H2,1H3,(H,28,29)/t16-/m1/s1.
What are the key properties of 1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-ethylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone?
1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-ethylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone has a molecular weight of 472.58 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-ethylpiperazin-1-yl]-2-imidazo[4,5-b]pyridin-3-ylethanone is sourced from PubChem (CID 71680140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).