(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone

C23H29N5OS — CID 56551295

IUPAC(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3nc4cccnc4s3)CC2)c(C)n1C1CCCCC1
InChIInChI=1S/C23H29N5OS/c1-16-15-19(17(2)28(16)18-7-4-3-5-8-18)22(29)26-11-13-27(14-12-26)23-25-20-9-6-10-24-21(20)30-23/h6,9-10,15,18H,3-5,7-8,11-14H2,1-2H3
InChIKeyOSVDSSYZNNKMPA-UHFFFAOYSA-N
MW423.59 g/mol
LogP4.58
Rot. Bonds3

About (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone

(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone (PubChem CID 56551295) has the molecular formula C23H29N5OS and a molecular weight of 423.59 g/mol. Its IUPAC name is (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
PubChem CID56551295
Molecular FormulaC23H29N5OS
Molecular Weight423.59 g/mol
Exact Mass423.21
IUPAC Name(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3nc4cccnc4s3)CC2)c(C)n1C1CCCCC1
InChIInChI=1S/C23H29N5OS/c1-16-15-19(17(2)28(16)18-7-4-3-5-8-18)22(29)26-11-13-27(14-12-26)23-25-20-9-6-10-24-21(20)30-23/h6,9-10,15,18H,3-5,7-8,11-14H2,1-2H3
InChIKeyOSVDSSYZNNKMPA-UHFFFAOYSA-N
XLogP4.58
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.59
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cyclohexyl-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 53084442
1-(4-cyclohexylpiperazin-1-yl)-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]butane-1,4-dione
CID 53084531
[4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone
CID 55564192
(4-cyclopentyloxy-3-methoxyphenyl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56535689
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119561064
(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56535775
(1-methylsulfonylpiperidin-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56535706
4-fluoro-N-methyl-3-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 56535583
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-piperazin-1-ylmethanone
CID 119401244
3-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-6-thiophen-2-yl-1H-pyridin-2-one
CID 56551516
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone
CID 56551398
[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 56551362

Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone (CID 56551295) is (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(c3nc4cccnc4s3)CC2)c(C)n1C1CCCCC1.
What is the InChIKey of (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone?
The InChIKey is OSVDSSYZNNKMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5OS/c1-16-15-19(17(2)28(16)18-7-4-3-5-8-18)22(29)26-11-13-27(14-12-26)23-25-20-9-6-10-24-21(20)30-23/h6,9-10,15,18H,3-5,7-8,11-14H2,1-2H3.
What are the key properties of (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone?
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone has a molecular weight of 423.59 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 56551295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).