3-[1-(3-tert-butyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-2-methylpropan-2-yl]-[1,2]thiazolo[3,4-c]pyridine

C20H23N5S — CID 130451782

IUPAC3-[1-(3-tert-butyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-2-methylpropan-2-yl]-[1,2]thiazolo[3,4-c]pyridine
SMILESCC(C)(C)c1[nH]nc2cnc(CC(C)(C)c3snc4cnccc34)cc12
InChIInChI=1S/C20H23N5S/c1-19(2,3)17-14-8-12(22-11-15(14)23-24-17)9-20(4,5)18-13-6-7-21-10-16(13)25-26-18/h6-8,10-11H,9H2,1-5H3,(H,23,24)
InChIKeyQXCAEQFQOFLXFK-UHFFFAOYSA-N
MW365.51 g/mol
LogP4.78
Rot. Bonds3

About 3-[1-(3-tert-butyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-2-methylpropan-2-yl]-[1,2]thiazolo[3,4-c]pyridine

3-[1-(3-tert-butyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-2-methylpropan-2-yl]-[1,2]thiazolo[3,4-c]pyridine (PubChem CID 130451782) has the molecular formula C20H23N5S and a molecular weight of 365.51 g/mol. Its IUPAC name is 3-[1-(3-tert-butyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-2-methylpropan-2-yl]-[1,2]thiazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[1-(3-tert-butyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-2-methylpropan-2-yl]-[1,2]thiazolo[3,4-c]pyridine
PubChem CID130451782
Molecular FormulaC20H23N5S
Molecular Weight365.51 g/mol
Exact Mass365.17
IUPAC Name3-[1-(3-tert-butyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-2-methylpropan-2-yl]-[1,2]thiazolo[3,4-c]pyridine
SMILESCC(C)(C)c1[nH]nc2cnc(CC(C)(C)c3snc4cnccc34)cc12
InChIInChI=1S/C20H23N5S/c1-19(2,3)17-14-8-12(22-11-15(14)23-24-17)9-20(4,5)18-13-6-7-21-10-16(13)25-26-18/h6-8,10-11H,9H2,1-5H3,(H,23,24)
InChIKeyQXCAEQFQOFLXFK-UHFFFAOYSA-N
XLogP4.78
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methylhexan-3-yl)-2H-pyrazolo[4,3-c]pyridine
CID 175633404
[1,2]thiazolo[3,4-c]pyridin-3-amine
CID 86166042
2-methyl-1-(1,7-naphthyridin-3-yl)propan-2-amine
CID 84776421
2H-pyrazolo[3,4-c]pyridine-3-carbaldehyde
CID 84649151
3-[2-methyl-1-(2-propan-2-yl-1H-imidazo[4,5-b]pyridin-5-yl)propan-2-yl]-[1,2]thiazolo[4,3-b]pyridine
CID 126724350
2-methyl-1-(7-methylisoquinolin-5-yl)propan-2-amine
CID 82577181
4-tert-butyl-5-methyl-2-[3-methyl-3-(3-methyl-4-pyridinyl)butyl]pyridine
CID 167226611
1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)-2,6-naphthyridine
CID 156661505
3-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrido[3,4-d]pyrimidin-4-yl]butane-1,3-diamine
CID 158758740
3-(2H-pyrazolo[3,4-c]pyridin-3-yl)propanoic acid
CID 84663068
2-methyl-1-N-[3-(3-methyl-4-pyridinyl)-2,6-naphthyridin-1-yl]propane-1,2-diamine
CID 71461847
6-tert-butyl-3-[2-methyl-2-([1,3]thiazolo[5,4-d]pyrimidin-2-yl)propyl]-[1,3]thiazolo[5,4-c]pyridazine
CID 130267327

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-tert-butyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-2-methylpropan-2-yl]-[1,2]thiazolo[3,4-c]pyridine?
The IUPAC name of 3-[1-(3-tert-butyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-2-methylpropan-2-yl]-[1,2]thiazolo[3,4-c]pyridine (CID 130451782) is 3-[1-(3-tert-butyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-2-methylpropan-2-yl]-[1,2]thiazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[1-(3-tert-butyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-2-methylpropan-2-yl]-[1,2]thiazolo[3,4-c]pyridine?
The canonical SMILES for 3-[1-(3-tert-butyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-2-methylpropan-2-yl]-[1,2]thiazolo[3,4-c]pyridine is CC(C)(C)c1[nH]nc2cnc(CC(C)(C)c3snc4cnccc34)cc12.
What is the InChIKey of 3-[1-(3-tert-butyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-2-methylpropan-2-yl]-[1,2]thiazolo[3,4-c]pyridine?
The InChIKey is QXCAEQFQOFLXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5S/c1-19(2,3)17-14-8-12(22-11-15(14)23-24-17)9-20(4,5)18-13-6-7-21-10-16(13)25-26-18/h6-8,10-11H,9H2,1-5H3,(H,23,24).
What are the key properties of 3-[1-(3-tert-butyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-2-methylpropan-2-yl]-[1,2]thiazolo[3,4-c]pyridine?
3-[1-(3-tert-butyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-2-methylpropan-2-yl]-[1,2]thiazolo[3,4-c]pyridine has a molecular weight of 365.51 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-tert-butyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-2-methylpropan-2-yl]-[1,2]thiazolo[3,4-c]pyridine is sourced from PubChem (CID 130451782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).