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

C24H23N7OS — CID 71680469

IUPAC1-[4-[4-(1H-benzimidazol-2-yl)-2-methyl-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone
SMILESCc1nc(-c2nc3ccccc3[nH]2)c(N2CCN(C(=O)Cn3ccc4cccnc43)CC2)s1
InChIInChI=1S/C24H23N7OS/c1-16-26-21(22-27-18-6-2-3-7-19(18)28-22)24(33-16)30-13-11-29(12-14-30)20(32)15-31-10-8-17-5-4-9-25-23(17)31/h2-10H,11-15H2,1H3,(H,27,28)
InChIKeyOEZNEYSBGWRWNR-UHFFFAOYSA-N
MW457.56 g/mol
LogP3.69
Rot. Bonds4

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

1-[4-[4-(1H-benzimidazol-2-yl)-2-methyl-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone (PubChem CID 71680469) has the molecular formula C24H23N7OS and a molecular weight of 457.56 g/mol. Its IUPAC name is 1-[4-[4-(1H-benzimidazol-2-yl)-2-methyl-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-methyl-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone
PubChem CID71680469
Molecular FormulaC24H23N7OS
Molecular Weight457.56 g/mol
Exact Mass457.17
IUPAC Name1-[4-[4-(1H-benzimidazol-2-yl)-2-methyl-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone
SMILESCc1nc(-c2nc3ccccc3[nH]2)c(N2CCN(C(=O)Cn3ccc4cccnc43)CC2)s1
InChIInChI=1S/C24H23N7OS/c1-16-26-21(22-27-18-6-2-3-7-19(18)28-22)24(33-16)30-13-11-29(12-14-30)20(32)15-31-10-8-17-5-4-9-25-23(17)31/h2-10H,11-15H2,1H3,(H,27,28)
InChIKeyOEZNEYSBGWRWNR-UHFFFAOYSA-N
XLogP3.69
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1H-benzimidazol-2-yl)-2-methyl-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-methyl-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone (CID 71680469) is 1-[4-[4-(1H-benzimidazol-2-yl)-2-methyl-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-methyl-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-methyl-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone is Cc1nc(-c2nc3ccccc3[nH]2)c(N2CCN(C(=O)Cn3ccc4cccnc43)CC2)s1.
What is the InChIKey of 1-[4-[4-(1H-benzimidazol-2-yl)-2-methyl-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone?
The InChIKey is OEZNEYSBGWRWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7OS/c1-16-26-21(22-27-18-6-2-3-7-19(18)28-22)24(33-16)30-13-11-29(12-14-30)20(32)15-31-10-8-17-5-4-9-25-23(17)31/h2-10H,11-15H2,1H3,(H,27,28).
What are the key properties of 1-[4-[4-(1H-benzimidazol-2-yl)-2-methyl-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone?
1-[4-[4-(1H-benzimidazol-2-yl)-2-methyl-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone has a molecular weight of 457.56 g/mol, XLogP of 3.69, 4 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-methyl-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone is sourced from PubChem (CID 71680469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).