4-methyl-5-[[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole

C16H19N5S — CID 124947493

IUPAC4-methyl-5-[[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1ncsc1CN1CCC[C@H](c2ccc3cn[nH]c3n2)C1
InChIInChI=1S/C16H19N5S/c1-11-15(22-10-17-11)9-21-6-2-3-13(8-21)14-5-4-12-7-18-20-16(12)19-14/h4-5,7,10,13H,2-3,6,8-9H2,1H3,(H,18,19,20)/t13-/m0/s1
InChIKeyCGBLKZMUCBDHND-ZDUSSCGKSA-N
MW313.43 g/mol
LogP3.10
Rot. Bonds3

About 4-methyl-5-[[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole

4-methyl-5-[[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 124947493) has the molecular formula C16H19N5S and a molecular weight of 313.43 g/mol. Its IUPAC name is 4-methyl-5-[[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID124947493
Molecular FormulaC16H19N5S
Molecular Weight313.43 g/mol
Exact Mass313.14
IUPAC Name4-methyl-5-[[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1ncsc1CN1CCC[C@H](c2ccc3cn[nH]c3n2)C1
InChIInChI=1S/C16H19N5S/c1-11-15(22-10-17-11)9-21-6-2-3-13(8-21)14-5-4-12-7-18-20-16(12)19-14/h4-5,7,10,13H,2-3,6,8-9H2,1H3,(H,18,19,20)/t13-/m0/s1
InChIKeyCGBLKZMUCBDHND-ZDUSSCGKSA-N
XLogP3.10
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-5-[[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

6-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
CID 110118592
6-[1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
CID 110118608
6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
CID 125001236
6-[(3R)-1-[(5-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
CID 124986558
6-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-1H-pyrazolo[5,4-b]pyridine
CID 124952532
N-methyl-3-[[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]pyridin-2-amine
CID 125003912
5-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 124973900
2-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124941129
N,2-dimethyl-6-[(3R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyridin-4-amine
CID 124958456
5-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 70766458
5-[[4-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 53192329
N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 172881471

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole (CID 124947493) is 4-methyl-5-[[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole is Cc1ncsc1CN1CCC[C@H](c2ccc3cn[nH]c3n2)C1.
What is the InChIKey of 4-methyl-5-[[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is CGBLKZMUCBDHND-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N5S/c1-11-15(22-10-17-11)9-21-6-2-3-13(8-21)14-5-4-12-7-18-20-16(12)19-14/h4-5,7,10,13H,2-3,6,8-9H2,1H3,(H,18,19,20)/t13-/m0/s1.
What are the key properties of 4-methyl-5-[[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole?
4-methyl-5-[[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 313.43 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 124947493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).