1-[4-[4-(1H-benzimidazol-2-yl)-2-ethyl-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone

C25H25N7OS — CID 71680470

IUPAC1-[4-[4-(1H-benzimidazol-2-yl)-2-ethyl-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone
SMILESCCc1nc(-c2nc3ccccc3[nH]2)c(N2CCN(C(=O)Cn3ccc4cccnc43)CC2)s1
InChIInChI=1S/C25H25N7OS/c1-2-20-29-22(23-27-18-7-3-4-8-19(18)28-23)25(34-20)31-14-12-30(13-15-31)21(33)16-32-11-9-17-6-5-10-26-24(17)32/h3-11H,2,12-16H2,1H3,(H,27,28)
InChIKeyKYWSSMSPIONJII-UHFFFAOYSA-N
MW471.59 g/mol
LogP3.95
Rot. Bonds5

About 1-[4-[4-(1H-benzimidazol-2-yl)-2-ethyl-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone

1-[4-[4-(1H-benzimidazol-2-yl)-2-ethyl-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone (PubChem CID 71680470) has the molecular formula C25H25N7OS and a molecular weight of 471.59 g/mol. Its IUPAC name is 1-[4-[4-(1H-benzimidazol-2-yl)-2-ethyl-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone.

Molecular Properties

Compound Name1-[4-[4-(1H-benzimidazol-2-yl)-2-ethyl-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone
PubChem CID71680470
Molecular FormulaC25H25N7OS
Molecular Weight471.59 g/mol
Exact Mass471.18
IUPAC Name1-[4-[4-(1H-benzimidazol-2-yl)-2-ethyl-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone
SMILESCCc1nc(-c2nc3ccccc3[nH]2)c(N2CCN(C(=O)Cn3ccc4cccnc43)CC2)s1
InChIInChI=1S/C25H25N7OS/c1-2-20-29-22(23-27-18-7-3-4-8-19(18)28-23)25(34-20)31-14-12-30(13-15-31)21(33)16-32-11-9-17-6-5-10-26-24(17)32/h3-11H,2,12-16H2,1H3,(H,27,28)
InChIKeyKYWSSMSPIONJII-UHFFFAOYSA-N
XLogP3.95
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[4-(1H-benzimidazol-2-yl)-2-ethyl-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1H-benzimidazol-2-yl)-2-ethyl-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone?
The IUPAC name of 1-[4-[4-(1H-benzimidazol-2-yl)-2-ethyl-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone (CID 71680470) is 1-[4-[4-(1H-benzimidazol-2-yl)-2-ethyl-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone.
What is the SMILES notation for 1-[4-[4-(1H-benzimidazol-2-yl)-2-ethyl-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone?
The canonical SMILES for 1-[4-[4-(1H-benzimidazol-2-yl)-2-ethyl-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone is CCc1nc(-c2nc3ccccc3[nH]2)c(N2CCN(C(=O)Cn3ccc4cccnc43)CC2)s1.
What is the InChIKey of 1-[4-[4-(1H-benzimidazol-2-yl)-2-ethyl-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone?
The InChIKey is KYWSSMSPIONJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7OS/c1-2-20-29-22(23-27-18-7-3-4-8-19(18)28-23)25(34-20)31-14-12-30(13-15-31)21(33)16-32-11-9-17-6-5-10-26-24(17)32/h3-11H,2,12-16H2,1H3,(H,27,28).
What are the key properties of 1-[4-[4-(1H-benzimidazol-2-yl)-2-ethyl-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone?
1-[4-[4-(1H-benzimidazol-2-yl)-2-ethyl-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone has a molecular weight of 471.59 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1H-benzimidazol-2-yl)-2-ethyl-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone is sourced from PubChem (CID 71680470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).