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

C20H21N5OS — CID 127043448

IUPAC3-[2-(6-propan-2-yl-3-pyridinyl)-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESCCCn1c(=O)ccc2c(-c3cnc(-c4ccc(C(C)C)nc4)s3)[nH]nc21
InChIInChI=1S/C20H21N5OS/c1-4-9-25-17(26)8-6-14-18(23-24-19(14)25)16-11-22-20(27-16)13-5-7-15(12(2)3)21-10-13/h5-8,10-12H,4,9H2,1-3H3,(H,23,24)
InChIKeyDOJFNEFKIDVUSP-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.44
Rot. Bonds5

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

3-[2-(6-propan-2-yl-3-pyridinyl)-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one (PubChem CID 127043448) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is 3-[2-(6-propan-2-yl-3-pyridinyl)-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-[2-(6-propan-2-yl-3-pyridinyl)-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one
PubChem CID127043448
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name3-[2-(6-propan-2-yl-3-pyridinyl)-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESCCCn1c(=O)ccc2c(-c3cnc(-c4ccc(C(C)C)nc4)s3)[nH]nc21
InChIInChI=1S/C20H21N5OS/c1-4-9-25-17(26)8-6-14-18(23-24-19(14)25)16-11-22-20(27-16)13-5-7-15(12(2)3)21-10-13/h5-8,10-12H,4,9H2,1-3H3,(H,23,24)
InChIKeyDOJFNEFKIDVUSP-UHFFFAOYSA-N
XLogP4.44
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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
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
N-ethyl-5-(4-piperidin-1-yl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1H-pyrazole-3-carboxamide
CID 10271259
(2S)-3-phenyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-2-(1,3-thiazol-5-ylmethylamino)propanamide
CID 73346302
3-[2-[6-(dimethylamino)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one
CID 127043437
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-(morpholin-4-ylmethyl)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one
CID 127043626
7-(2-hydroxyethyl)-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one
CID 127044534
7-methyl-3-(2-pyridin-3-yl-1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridin-6-one
CID 127044865

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-propan-2-yl-3-pyridinyl)-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 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) is 3-[2-(6-propan-2-yl-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-propan-2-yl-3-pyridinyl)-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 3-[2-(6-propan-2-yl-3-pyridinyl)-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one is CCCn1c(=O)ccc2c(-c3cnc(-c4ccc(C(C)C)nc4)s3)[nH]nc21.
What is the InChIKey of 3-[2-(6-propan-2-yl-3-pyridinyl)-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is DOJFNEFKIDVUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-4-9-25-17(26)8-6-14-18(23-24-19(14)25)16-11-22-20(27-16)13-5-7-15(12(2)3)21-10-13/h5-8,10-12H,4,9H2,1-3H3,(H,23,24).
What are the key properties of 3-[2-(6-propan-2-yl-3-pyridinyl)-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one?
3-[2-(6-propan-2-yl-3-pyridinyl)-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 379.49 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-propan-2-yl-3-pyridinyl)-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 127043448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).