2-methyl-4-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-thiazole

C16H19N5S — CID 138570550

IUPAC2-methyl-4-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-thiazole
SMILESCc1nc(-c2cc3c(N4CCN(C)CC4)ccnc3[nH]2)cs1
InChIInChI=1S/C16H19N5S/c1-11-18-14(10-22-11)13-9-12-15(3-4-17-16(12)19-13)21-7-5-20(2)6-8-21/h3-4,9-10H,5-8H2,1-2H3,(H,17,19)
InChIKeyGZVRZBKVGCQHQX-UHFFFAOYSA-N
MW313.43 g/mol
LogP2.75
Rot. Bonds2

About 2-methyl-4-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-thiazole

2-methyl-4-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-thiazole (PubChem CID 138570550) has the molecular formula C16H19N5S and a molecular weight of 313.43 g/mol. Its IUPAC name is 2-methyl-4-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-thiazole
PubChem CID138570550
Molecular FormulaC16H19N5S
Molecular Weight313.43 g/mol
Exact Mass313.14
IUPAC Name2-methyl-4-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-thiazole
SMILESCc1nc(-c2cc3c(N4CCN(C)CC4)ccnc3[nH]2)cs1
InChIInChI=1S/C16H19N5S/c1-11-18-14(10-22-11)13-9-12-15(3-4-17-16(12)19-13)21-7-5-20(2)6-8-21/h3-4,9-10H,5-8H2,1-2H3,(H,17,19)
InChIKeyGZVRZBKVGCQHQX-UHFFFAOYSA-N
XLogP2.75
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-thiazole with MolForge

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

Launch Full Analysis

Related Compounds

(3-methylcyclobutyl)-[4-[2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone
CID 166959263
4-[2-(1-methylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylic acid
CID 142563219
4-(4-methylpiperazin-1-yl)thieno[2,3-b]pyridine
CID 132554244
N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137039073
oxetan-3-yl 4-[2-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 138569999
N-[[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 138604473
1-[4-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]propan-1-one
CID 138570218
methyl 4-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 138570202
N,N-dimethyl-2-[[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]oxy]ethanamine
CID 137111633
2-methyl-N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 137111940
oxetan-3-yl 4-[2-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 142563304
3,3-dimethyl-N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide
CID 138603117

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-thiazole (CID 138570550) is 2-methyl-4-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-thiazole is Cc1nc(-c2cc3c(N4CCN(C)CC4)ccnc3[nH]2)cs1.
What is the InChIKey of 2-methyl-4-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-thiazole?
The InChIKey is GZVRZBKVGCQHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5S/c1-11-18-14(10-22-11)13-9-12-15(3-4-17-16(12)19-13)21-7-5-20(2)6-8-21/h3-4,9-10H,5-8H2,1-2H3,(H,17,19).
What are the key properties of 2-methyl-4-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-thiazole?
2-methyl-4-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-thiazole has a molecular weight of 313.43 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-thiazole is sourced from PubChem (CID 138570550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).