(3-methyl-[1,2]thiazolo[5,4-b]pyridin-5-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone

C16H17N5OS — CID 95160978

IUPAC(3-methyl-[1,2]thiazolo[5,4-b]pyridin-5-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
SMILESCc1nsc2ncc(C(=O)N3CCC[C@@H](n4cccn4)C3)cc12
InChIInChI=1S/C16H17N5OS/c1-11-14-8-12(9-17-15(14)23-19-11)16(22)20-6-2-4-13(10-20)21-7-3-5-18-21/h3,5,7-9,13H,2,4,6,10H2,1H3/t13-/m1/s1
InChIKeyVJHDQMWLFKKQLB-CYBMUJFWSA-N
MW327.41 g/mol
LogP2.67
Rot. Bonds2

About (3-methyl-[1,2]thiazolo[5,4-b]pyridin-5-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone

(3-methyl-[1,2]thiazolo[5,4-b]pyridin-5-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone (PubChem CID 95160978) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is (3-methyl-[1,2]thiazolo[5,4-b]pyridin-5-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-[1,2]thiazolo[5,4-b]pyridin-5-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
PubChem CID95160978
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name(3-methyl-[1,2]thiazolo[5,4-b]pyridin-5-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
SMILESCc1nsc2ncc(C(=O)N3CCC[C@@H](n4cccn4)C3)cc12
InChIInChI=1S/C16H17N5OS/c1-11-14-8-12(9-17-15(14)23-19-11)16(22)20-6-2-4-13(10-20)21-7-3-5-18-21/h3,5,7-9,13H,2,4,6,10H2,1H3/t13-/m1/s1
InChIKeyVJHDQMWLFKKQLB-CYBMUJFWSA-N
XLogP2.67
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-methyl-[1,2]thiazolo[5,4-b]pyridin-5-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone with MolForge

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Related Compounds

(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95768735
(2-methyl-1,3-thiazol-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 129369690
(2,5-dimethylthiophen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95282542
(5-bromothiophen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158101
N-methyl-5-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridine-2-carboxamide
CID 95273055
[(3S)-3-pyrazol-1-ylpiperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 95282730
[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-thiophen-3-ylmethanone
CID 95383030
(4-aminophenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110474500
(5-bromofuran-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95281714
(4-methylsulfonylphenyl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158589
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158560
1,3-benzodioxol-5-yl-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158283

Frequently Asked Questions

What is the IUPAC name of (3-methyl-[1,2]thiazolo[5,4-b]pyridin-5-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The IUPAC name of (3-methyl-[1,2]thiazolo[5,4-b]pyridin-5-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone (CID 95160978) is (3-methyl-[1,2]thiazolo[5,4-b]pyridin-5-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone.
What is the SMILES notation for (3-methyl-[1,2]thiazolo[5,4-b]pyridin-5-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The canonical SMILES for (3-methyl-[1,2]thiazolo[5,4-b]pyridin-5-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone is Cc1nsc2ncc(C(=O)N3CCC[C@@H](n4cccn4)C3)cc12.
What is the InChIKey of (3-methyl-[1,2]thiazolo[5,4-b]pyridin-5-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The InChIKey is VJHDQMWLFKKQLB-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-11-14-8-12(9-17-15(14)23-19-11)16(22)20-6-2-4-13(10-20)21-7-3-5-18-21/h3,5,7-9,13H,2,4,6,10H2,1H3/t13-/m1/s1.
What are the key properties of (3-methyl-[1,2]thiazolo[5,4-b]pyridin-5-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
(3-methyl-[1,2]thiazolo[5,4-b]pyridin-5-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone has a molecular weight of 327.41 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-[1,2]thiazolo[5,4-b]pyridin-5-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 95160978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).