[6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-thiomorpholin-4-ylmethanone

C22H20N6OS — CID 167806643

IUPAC[6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1cc(-c2cccnc2)nc2c1cnn2Cc1cccnc1)N1CCSCC1
InChIInChI=1S/C22H20N6OS/c29-22(27-7-9-30-10-8-27)18-11-20(17-4-2-6-24-13-17)26-21-19(18)14-25-28(21)15-16-3-1-5-23-12-16/h1-6,11-14H,7-10,15H2
InChIKeyNFPWGKAQWGDTAQ-UHFFFAOYSA-N
MW416.51 g/mol
LogP3.13
Rot. Bonds4

About [6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-thiomorpholin-4-ylmethanone

[6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-thiomorpholin-4-ylmethanone (PubChem CID 167806643) has the molecular formula C22H20N6OS and a molecular weight of 416.51 g/mol. Its IUPAC name is [6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-thiomorpholin-4-ylmethanone
PubChem CID167806643
Molecular FormulaC22H20N6OS
Molecular Weight416.51 g/mol
Exact Mass416.14
IUPAC Name[6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1cc(-c2cccnc2)nc2c1cnn2Cc1cccnc1)N1CCSCC1
InChIInChI=1S/C22H20N6OS/c29-22(27-7-9-30-10-8-27)18-11-20(17-4-2-6-24-13-17)26-21-19(18)14-25-28(21)15-16-3-1-5-23-12-16/h1-6,11-14H,7-10,15H2
InChIKeyNFPWGKAQWGDTAQ-UHFFFAOYSA-N
XLogP3.13
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 146125217
[1-(furan-2-ylmethyl)-6-pyridin-3-ylpyrazolo[5,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 55503967
N-methyl-N-(3-methylcyclopentyl)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 167827110
N-(furan-2-ylmethyl)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 78835342
6-methyl-1-(pyridin-3-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16793223
N-(2-methylbutoxy)-6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 146075855
1-propyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 60985297
N-[1-(1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46446311
N-butyl-N-ethyl-6-phenyl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 25343257
1-benzyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 113220360
[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 167909704
ethyl 1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxylate
CID 134798634

Frequently Asked Questions

What is the IUPAC name of [6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-thiomorpholin-4-ylmethanone (CID 167806643) is [6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-thiomorpholin-4-ylmethanone is O=C(c1cc(-c2cccnc2)nc2c1cnn2Cc1cccnc1)N1CCSCC1.
What is the InChIKey of [6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is NFPWGKAQWGDTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6OS/c29-22(27-7-9-30-10-8-27)18-11-20(17-4-2-6-24-13-17)26-21-19(18)14-25-28(21)15-16-3-1-5-23-12-16/h1-6,11-14H,7-10,15H2.
What are the key properties of [6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-thiomorpholin-4-ylmethanone?
[6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 416.51 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrazolo[5,4-b]pyridin-4-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 167806643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).