3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one

C21H26N4OS — CID 24645958

IUPAC3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one
SMILESCc1nc2c(c(C)nn2C)c(C)c1CCC(=O)N1CCCC1c1cccs1
InChIInChI=1S/C21H26N4OS/c1-13-16(14(2)22-21-20(13)15(3)23-24(21)4)9-10-19(26)25-11-5-7-17(25)18-8-6-12-27-18/h6,8,12,17H,5,7,9-11H2,1-4H3
InChIKeyIJGFHSOBKGZRTA-UHFFFAOYSA-N
MW382.53 g/mol
LogP4.25
Rot. Bonds4

About 3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one

3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one (PubChem CID 24645958) has the molecular formula C21H26N4OS and a molecular weight of 382.53 g/mol. Its IUPAC name is 3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one
PubChem CID24645958
Molecular FormulaC21H26N4OS
Molecular Weight382.53 g/mol
Exact Mass382.18
IUPAC Name3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one
SMILESCc1nc2c(c(C)nn2C)c(C)c1CCC(=O)N1CCCC1c1cccs1
InChIInChI=1S/C21H26N4OS/c1-13-16(14(2)22-21-20(13)15(3)23-24(21)4)9-10-19(26)25-11-5-7-17(25)18-8-6-12-27-18/h6,8,12,17H,5,7,9-11H2,1-4H3
InChIKeyIJGFHSOBKGZRTA-UHFFFAOYSA-N
XLogP4.25
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one
CID 95585723
3-(3-methoxy-1,4,6-trimethylpyrazolo[5,4-b]pyridin-5-yl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 55904394
ethyl 4-oxo-4-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]butanoate
CID 95358126
ethyl 4-oxo-4-(2-thiophen-2-ylpyrrolidin-1-yl)butanoate
CID 60637327
3-(1,3-benzothiazol-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one
CID 41144976
4-amino-1-(2-thiophen-2-ylpyrrolidin-1-yl)butan-1-one
CID 60937933
ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 95358480
1-[3-oxo-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propyl]pyrrolidine-2,5-dione
CID 94799365
3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]propanamide
CID 24620085
1-(2-phenylpyrrolidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 42940608
1-[(2S)-2-phenylpyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 30664822
3-(5-phenylfuran-2-yl)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propan-1-one
CID 41103665

Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one (CID 24645958) is 3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one is Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)N1CCCC1c1cccs1.
What is the InChIKey of 3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one?
The InChIKey is IJGFHSOBKGZRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4OS/c1-13-16(14(2)22-21-20(13)15(3)23-24(21)4)9-10-19(26)25-11-5-7-17(25)18-8-6-12-27-18/h6,8,12,17H,5,7,9-11H2,1-4H3.
What are the key properties of 3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one?
3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one has a molecular weight of 382.53 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4,6-tetramethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 24645958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).