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

C22H24N6O2S — CID 127043626

IUPAC3-[2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESCCCn1c(=O)ccc2c(-c3cnc(-c4ccc(CN5CCOCC5)nc4)s3)[nH]nc21
InChIInChI=1S/C22H24N6O2S/c1-2-7-28-19(29)6-5-17-20(25-26-21(17)28)18-13-24-22(31-18)15-3-4-16(23-12-15)14-27-8-10-30-11-9-27/h3-6,12-13H,2,7-11,14H2,1H3,(H,25,26)
InChIKeyGFZBBTMRVXMWSN-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.15
Rot. Bonds6

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

3-[2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one (PubChem CID 127043626) has the molecular formula C22H24N6O2S and a molecular weight of 436.54 g/mol. Its IUPAC name is 3-[2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-[2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one
PubChem CID127043626
Molecular FormulaC22H24N6O2S
Molecular Weight436.54 g/mol
Exact Mass436.17
IUPAC Name3-[2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESCCCn1c(=O)ccc2c(-c3cnc(-c4ccc(CN5CCOCC5)nc4)s3)[nH]nc21
InChIInChI=1S/C22H24N6O2S/c1-2-7-28-19(29)6-5-17-20(25-26-21(17)28)18-13-24-22(31-18)15-3-4-16(23-12-15)14-27-8-10-30-11-9-27/h3-6,12-13H,2,7-11,14H2,1H3,(H,25,26)
InChIKeyGFZBBTMRVXMWSN-UHFFFAOYSA-N
XLogP3.15
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[[5-(5-pyrrolidin-1-ylpyrazin-2-yl)-2-pyridinyl]methyl]morpholine
CID 146252768
4-[(5-ethylsulfanyl-2-pyridinyl)methyl]morpholine
CID 144686812
N,4-dimethyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]aniline
CID 143943044
4-[[5-[3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophen-2-yl]methyl]morpholine
CID 122602919
2-morpholin-4-yl-1-[4-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 78835226
4-[[4-[6-fluoro-4-[(4-propylpiperazin-1-yl)methyl]quinolin-2-yl]phenyl]methyl]morpholine
CID 155532654
5-(1,4-oxazepan-4-ylmethyl)pyrazin-2-amine
CID 103056325
lithium 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate
CID 118364714
1-(2-ethoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;1-(3-ethylphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
CID 162244090
4-propyl-3-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1H-1,2,4-triazole-5-thione
CID 82424692
4-[2-[4-(6-ethyl-3-pyridinyl)phenoxy]ethyl]morpholine
CID 59845977
4-[[5-[4-[3-(1,3-oxazol-5-yl)phenyl]naphthalen-1-yl]-2-pyridinyl]methyl]morpholine
CID 91211472

Frequently Asked Questions

What is the IUPAC name of 3-[2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 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) is 3-[2-[6-(morpholin-4-ylmethyl)-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-(morpholin-4-ylmethyl)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 3-[2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one is CCCn1c(=O)ccc2c(-c3cnc(-c4ccc(CN5CCOCC5)nc4)s3)[nH]nc21.
What is the InChIKey of 3-[2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is GFZBBTMRVXMWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2S/c1-2-7-28-19(29)6-5-17-20(25-26-21(17)28)18-13-24-22(31-18)15-3-4-16(23-12-15)14-27-8-10-30-11-9-27/h3-6,12-13H,2,7-11,14H2,1H3,(H,25,26).
What are the key properties of 3-[2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one?
3-[2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 436.54 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1,3-thiazol-5-yl]-7-propyl-2H-pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 127043626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).