2-[1-(1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-1,3-thiazole

C15H15N5S — CID 154542234

IUPAC2-[1-(1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-1,3-thiazole
SMILESCc1cc(-n2ccc(-c3nccs3)n2)c2c(n1)N(C)CC2
InChIInChI=1S/C15H15N5S/c1-10-9-13(11-3-6-19(2)14(11)17-10)20-7-4-12(18-20)15-16-5-8-21-15/h4-5,7-9H,3,6H2,1-2H3
InChIKeyCWDUUPZIIVUJIS-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.69
Rot. Bonds2

About 2-[1-(1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-1,3-thiazole

2-[1-(1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-1,3-thiazole (PubChem CID 154542234) has the molecular formula C15H15N5S and a molecular weight of 297.39 g/mol. Its IUPAC name is 2-[1-(1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-1,3-thiazole
PubChem CID154542234
Molecular FormulaC15H15N5S
Molecular Weight297.39 g/mol
Exact Mass297.10
IUPAC Name2-[1-(1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-1,3-thiazole
SMILESCc1cc(-n2ccc(-c3nccs3)n2)c2c(n1)N(C)CC2
InChIInChI=1S/C15H15N5S/c1-10-9-13(11-3-6-19(2)14(11)17-10)20-7-4-12(18-20)15-16-5-8-21-15/h4-5,7-9H,3,6H2,1-2H3
InChIKeyCWDUUPZIIVUJIS-UHFFFAOYSA-N
XLogP2.69
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-thiophen-2-ylbenzonitrile
CID 25149252
1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-amine
CID 919754
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,6-dimethoxy-3-pyridinyl)-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyridin-2-amine
CID 25149533
2-[2-[[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]amino]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-3-pyridinyl]ethanol
CID 25149534
2-(1,5-dimethylpyrazol-3-yl)-1,3-thiazole
CID 139386122
N-[2,4-bis(methylsulfonyl)phenyl]-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyridin-2-amine
CID 25149719
[2-[2,4-bis(trifluoromethyl)anilino]-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-3-pyridinyl]methanesulfonic acid
CID 25150350
ethane;1,5,7-trimethyl-3,4-dihydro-2H-1,8-naphthyridine
CID 156820229
2-[4-(1-methylpyrrol-2-yl)-6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,3-thiazole
CID 132570576
1-(2-methylthiophen-3-yl)-3-phenylpyrazole
CID 59804975
2-[3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazin-6-yl]-1,3-thiazole
CID 57456766
ethane;[1-methyl-3-(1,3-thiazol-2-yl)pyrazol-5-yl]boronic acid
CID 144606787

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-1,3-thiazole?
The IUPAC name of 2-[1-(1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-1,3-thiazole (CID 154542234) is 2-[1-(1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-(1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-1,3-thiazole is Cc1cc(-n2ccc(-c3nccs3)n2)c2c(n1)N(C)CC2.
What is the InChIKey of 2-[1-(1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-1,3-thiazole?
The InChIKey is CWDUUPZIIVUJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S/c1-10-9-13(11-3-6-19(2)14(11)17-10)20-7-4-12(18-20)15-16-5-8-21-15/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of 2-[1-(1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-1,3-thiazole?
2-[1-(1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-1,3-thiazole has a molecular weight of 297.39 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 154542234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).