(3-methylcyclobutyl)-[4-[2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone

C21H25N5OS — CID 166959263

IUPAC(3-methylcyclobutyl)-[4-[2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone
SMILESCc1nc(-c2cc3c(N4CCN(C(=O)C5CC(C)C5)CC4)ccnc3[nH]2)cs1
InChIInChI=1S/C21H25N5OS/c1-13-9-15(10-13)21(27)26-7-5-25(6-8-26)19-3-4-22-20-16(19)11-17(24-20)18-12-28-14(2)23-18/h3-4,11-13,15H,5-10H2,1-2H3,(H,22,24)
InChIKeyZFIQOPICESYVIF-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.69
Rot. Bonds3

About (3-methylcyclobutyl)-[4-[2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone

(3-methylcyclobutyl)-[4-[2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone (PubChem CID 166959263) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is (3-methylcyclobutyl)-[4-[2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylcyclobutyl)-[4-[2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone
PubChem CID166959263
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC Name(3-methylcyclobutyl)-[4-[2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone
SMILESCc1nc(-c2cc3c(N4CCN(C(=O)C5CC(C)C5)CC4)ccnc3[nH]2)cs1
InChIInChI=1S/C21H25N5OS/c1-13-9-15(10-13)21(27)26-7-5-25(6-8-26)19-3-4-22-20-16(19)11-17(24-20)18-12-28-14(2)23-18/h3-4,11-13,15H,5-10H2,1-2H3,(H,22,24)
InChIKeyZFIQOPICESYVIF-UHFFFAOYSA-N
XLogP3.69
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-methyl-4-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1,3-thiazole
CID 138570550
1-[4-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]propan-1-one
CID 138570218
[4-[2-(1,5-dimethylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-(4-methylcyclohexyl)methanone
CID 166959265
cyclopropyl-[4-[2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone
CID 138569970
cyclopropyl-[4-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone
CID 138570476
cyclopropyl-[4-[2-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone
CID 138569894
4-[2-(1-methylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylic acid
CID 142563219
cyclopropyl-[4-[2-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone
CID 142563291
[4-[2-(4-cyclobutyloxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]-cyclopropylmethanone
CID 138569901
cyclohexyl-[4-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone;formonitrile
CID 142563199
oxetan-3-yl 4-[2-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 138569999
cyclopropyl-[4-[2-[4-[2-(2,2-difluoroethylamino)ethylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone
CID 138570269

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclobutyl)-[4-[2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (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) is (3-methylcyclobutyl)-[4-[2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-methylcyclobutyl)-[4-[2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (3-methylcyclobutyl)-[4-[2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone is Cc1nc(-c2cc3c(N4CCN(C(=O)C5CC(C)C5)CC4)ccnc3[nH]2)cs1.
What is the InChIKey of (3-methylcyclobutyl)-[4-[2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone?
The InChIKey is ZFIQOPICESYVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-13-9-15(10-13)21(27)26-7-5-25(6-8-26)19-3-4-22-20-16(19)11-17(24-20)18-12-28-14(2)23-18/h3-4,11-13,15H,5-10H2,1-2H3,(H,22,24).
What are the key properties of (3-methylcyclobutyl)-[4-[2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone?
(3-methylcyclobutyl)-[4-[2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone has a molecular weight of 395.53 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclobutyl)-[4-[2-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 166959263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).