(4-amino-3,3-dimethylpiperidin-1-yl)-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone

C20H25N5OS — CID 120815578

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
SMILESCc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCC(N)C(C)(C)C3)c12
InChIInChI=1S/C20H25N5OS/c1-12-17-13(19(26)25-8-7-16(21)20(2,3)11-25)10-14(15-6-5-9-27-15)22-18(17)24(4)23-12/h5-6,9-10,16H,7-8,11,21H2,1-4H3
InChIKeyMTKOAAHUJPGTLD-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.20
Rot. Bonds2

About (4-amino-3,3-dimethylpiperidin-1-yl)-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone

(4-amino-3,3-dimethylpiperidin-1-yl)-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone (PubChem CID 120815578) has the molecular formula C20H25N5OS and a molecular weight of 383.52 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
PubChem CID120815578
Molecular FormulaC20H25N5OS
Molecular Weight383.52 g/mol
Exact Mass383.18
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
SMILESCc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCC(N)C(C)(C)C3)c12
InChIInChI=1S/C20H25N5OS/c1-12-17-13(19(26)25-8-7-16(21)20(2,3)11-25)10-14(15-6-5-9-27-15)22-18(17)24(4)23-12/h5-6,9-10,16H,7-8,11,21H2,1-4H3
InChIKeyMTKOAAHUJPGTLD-UHFFFAOYSA-N
XLogP3.20
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 111758269
(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperidin-1-yl)methanone
CID 44822989
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 120658168
(2S)-1-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119364932
[4-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 34471542
(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 112809499
(2R,3R)-1-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116223
[2-(aminomethyl)piperidin-1-yl]-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 119468131
(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 55675685
ethyl 1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 43021003
(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 34217550
(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 42961988

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone (CID 120815578) is (4-amino-3,3-dimethylpiperidin-1-yl)-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone is Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCC(N)C(C)(C)C3)c12.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone?
The InChIKey is MTKOAAHUJPGTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5OS/c1-12-17-13(19(26)25-8-7-16(21)20(2,3)11-25)10-14(15-6-5-9-27-15)22-18(17)24(4)23-12/h5-6,9-10,16H,7-8,11,21H2,1-4H3.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone?
(4-amino-3,3-dimethylpiperidin-1-yl)-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone has a molecular weight of 383.52 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone is sourced from PubChem (CID 120815578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).