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

C25H25N7OS — CID 71679473

IUPAC1-[(2R)-2-methyl-4-[4-(4-methyl-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone
SMILESCc1cccc2[nH]c(-c3ncsc3N3CCN(C(=O)Cn4ccc5cccnc54)[C@H](C)C3)nc12
InChIInChI=1S/C25H25N7OS/c1-16-5-3-7-19-21(16)29-23(28-19)22-25(34-15-27-22)31-11-12-32(17(2)13-31)20(33)14-30-10-8-18-6-4-9-26-24(18)30/h3-10,15,17H,11-14H2,1-2H3,(H,28,29)/t17-/m1/s1
InChIKeySOSAHDDYEAPUCF-QGZVFWFLSA-N
MW471.59 g/mol
LogP4.08
Rot. Bonds4

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

1-[(2R)-2-methyl-4-[4-(4-methyl-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone (PubChem CID 71679473) has the molecular formula C25H25N7OS and a molecular weight of 471.59 g/mol. Its IUPAC name is 1-[(2R)-2-methyl-4-[4-(4-methyl-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone.

Molecular Properties

Compound Name1-[(2R)-2-methyl-4-[4-(4-methyl-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone
PubChem CID71679473
Molecular FormulaC25H25N7OS
Molecular Weight471.59 g/mol
Exact Mass471.18
IUPAC Name1-[(2R)-2-methyl-4-[4-(4-methyl-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone
SMILESCc1cccc2[nH]c(-c3ncsc3N3CCN(C(=O)Cn4ccc5cccnc54)[C@H](C)C3)nc12
InChIInChI=1S/C25H25N7OS/c1-16-5-3-7-19-21(16)29-23(28-19)22-25(34-15-27-22)31-11-12-32(17(2)13-31)20(33)14-30-10-8-18-6-4-9-26-24(18)30/h3-10,15,17H,11-14H2,1-2H3,(H,28,29)/t17-/m1/s1
InChIKeySOSAHDDYEAPUCF-QGZVFWFLSA-N
XLogP4.08
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(2R)-2-methyl-4-[4-(4-methyl-1H-benzimidazol-2-yl)-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-[(2R)-2-methyl-4-[4-(4-methyl-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone?
The IUPAC name of 1-[(2R)-2-methyl-4-[4-(4-methyl-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone (CID 71679473) is 1-[(2R)-2-methyl-4-[4-(4-methyl-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone.
What is the SMILES notation for 1-[(2R)-2-methyl-4-[4-(4-methyl-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone?
The canonical SMILES for 1-[(2R)-2-methyl-4-[4-(4-methyl-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone is Cc1cccc2[nH]c(-c3ncsc3N3CCN(C(=O)Cn4ccc5cccnc54)[C@H](C)C3)nc12.
What is the InChIKey of 1-[(2R)-2-methyl-4-[4-(4-methyl-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone?
The InChIKey is SOSAHDDYEAPUCF-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H25N7OS/c1-16-5-3-7-19-21(16)29-23(28-19)22-25(34-15-27-22)31-11-12-32(17(2)13-31)20(33)14-30-10-8-18-6-4-9-26-24(18)30/h3-10,15,17H,11-14H2,1-2H3,(H,28,29)/t17-/m1/s1.
What are the key properties of 1-[(2R)-2-methyl-4-[4-(4-methyl-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone?
1-[(2R)-2-methyl-4-[4-(4-methyl-1H-benzimidazol-2-yl)-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 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methyl-4-[4-(4-methyl-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-pyrrolo[2,3-b]pyridin-1-ylethanone is sourced from PubChem (CID 71679473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).