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

C22H21N5OS — CID 11502293

IUPAC[5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperazin-1-ylmethanone
SMILESCc1sc(C(=O)N2CCNCC2)nc1-c1c[nH]c2ncc(-c3ccccc3)cc12
InChIInChI=1S/C22H21N5OS/c1-14-19(26-21(29-14)22(28)27-9-7-23-8-10-27)18-13-25-20-17(18)11-16(12-24-20)15-5-3-2-4-6-15/h2-6,11-13,23H,7-10H2,1H3,(H,24,25)
InChIKeyKCXPIGRRFGNKLK-UHFFFAOYSA-N
MW403.51 g/mol
LogP3.71
Rot. Bonds3

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

[5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperazin-1-ylmethanone (PubChem CID 11502293) has the molecular formula C22H21N5OS and a molecular weight of 403.51 g/mol. Its IUPAC name is [5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperazin-1-ylmethanone
PubChem CID11502293
Molecular FormulaC22H21N5OS
Molecular Weight403.51 g/mol
Exact Mass403.15
IUPAC Name[5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperazin-1-ylmethanone
SMILESCc1sc(C(=O)N2CCNCC2)nc1-c1c[nH]c2ncc(-c3ccccc3)cc12
InChIInChI=1S/C22H21N5OS/c1-14-19(26-21(29-14)22(28)27-9-7-23-8-10-27)18-13-25-20-17(18)11-16(12-24-20)15-5-3-2-4-6-15/h2-6,11-13,23H,7-10H2,1H3,(H,24,25)
InChIKeyKCXPIGRRFGNKLK-UHFFFAOYSA-N
XLogP3.71
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperazin-1-ylmethanone 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 [5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperazin-1-ylmethanone (CID 11502293) is [5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperazin-1-ylmethanone is Cc1sc(C(=O)N2CCNCC2)nc1-c1c[nH]c2ncc(-c3ccccc3)cc12.
What is the InChIKey of [5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperazin-1-ylmethanone?
The InChIKey is KCXPIGRRFGNKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5OS/c1-14-19(26-21(29-14)22(28)27-9-7-23-8-10-27)18-13-25-20-17(18)11-16(12-24-20)15-5-3-2-4-6-15/h2-6,11-13,23H,7-10H2,1H3,(H,24,25).
What are the key properties of [5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperazin-1-ylmethanone?
[5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperazin-1-ylmethanone has a molecular weight of 403.51 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 11502293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).