3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one

C19H20N6OS — CID 127043437

IUPAC3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESCCCn1c(=O)ccc2c(-c3cnc(-c4ccc(N(C)C)nc4)s3)[nH]nc21
InChIInChI=1S/C19H20N6OS/c1-4-9-25-16(26)8-6-13-17(22-23-18(13)25)14-11-21-19(27-14)12-5-7-15(20-10-12)24(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,22,23)
InChIKeyFTAUDSQNIOMSIZ-UHFFFAOYSA-N
MW380.48 g/mol
LogP3.39
Rot. Bonds5

About 3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one

3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one (PubChem CID 127043437) has the molecular formula C19H20N6OS and a molecular weight of 380.48 g/mol. Its IUPAC name is 3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one
PubChem CID127043437
Molecular FormulaC19H20N6OS
Molecular Weight380.48 g/mol
Exact Mass380.14
IUPAC Name3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESCCCn1c(=O)ccc2c(-c3cnc(-c4ccc(N(C)C)nc4)s3)[nH]nc21
InChIInChI=1S/C19H20N6OS/c1-4-9-25-16(26)8-6-13-17(22-23-18(13)25)14-11-21-19(27-14)12-5-7-15(20-10-12)24(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,22,23)
InChIKeyFTAUDSQNIOMSIZ-UHFFFAOYSA-N
XLogP3.39
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one with MolForge

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Related Compounds

7-Propyl-3-[2-(Pyridin-3-Yl)-1,3-Thiazol-5-Yl]-1,7-Dihydro-6h-Pyrazolo[3,4-B]pyridin-6-One
CID 71721528
3-[2-(Pyridin-3-Yl)-1,3-Thiazol-5-Yl]-2,7-Dihydro-6h-Pyrazolo[3,4-B]pyridin-6-One
CID 135567071
1-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 73507153
4-Phenyl-3-[2-(Pyridin-3-Yl)-1,3-Thiazol-5-Yl]-2,7-Dihydro-6h-Pyrazolo[3,4-B]pyridin-6-One
CID 135567070
but-2-ynyl N-[[3-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate
CID 10137928
methyl N-[[3-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazol-5-yl]methyl]carbamate
CID 10157715
N-ethyl-5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide
CID 10271259
3-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one
CID 127043438
3-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one
CID 127043439
3-[2-[6-(hydroxymethyl)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one
CID 127043447
3-[2-(6-propan-2-yl-3-pyridinyl)-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one
CID 127043448
3-[2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one
CID 127043626

Frequently Asked Questions

What is the IUPAC name of 3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one (CID 127043437) is 3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one is CCCn1c(=O)ccc2c(-c3cnc(-c4ccc(N(C)C)nc4)s3)[nH]nc21.
What is the InChIKey of 3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is FTAUDSQNIOMSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6OS/c1-4-9-25-16(26)8-6-13-17(22-23-18(13)25)14-11-21-19(27-14)12-5-7-15(20-10-12)24(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,22,23).
What are the key properties of 3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one?
3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 380.48 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 127043437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).