7-bromo-2-[2-(oxan-2-yl)pyrazol-3-yl]-N-propan-2-ylthieno[3,2-b]pyridin-5-amine

C18H21BrN4OS — CID 156710450

IUPAC7-bromo-2-[2-(oxan-2-yl)pyrazol-3-yl]-N-propan-2-ylthieno[3,2-b]pyridin-5-amine
SMILESCC(C)Nc1cc(Br)c2sc(-c3ccnn3C3CCCCO3)cc2n1
InChIInChI=1S/C18H21BrN4OS/c1-11(2)21-16-9-12(19)18-13(22-16)10-15(25-18)14-6-7-20-23(14)17-5-3-4-8-24-17/h6-7,9-11,17H,3-5,8H2,1-2H3,(H,21,22)
InChIKeyMIQDLEUSZULLGV-UHFFFAOYSA-N
MW421.36 g/mol
LogP5.44
Rot. Bonds4

About 7-bromo-2-[2-(oxan-2-yl)pyrazol-3-yl]-N-propan-2-ylthieno[3,2-b]pyridin-5-amine

7-bromo-2-[2-(oxan-2-yl)pyrazol-3-yl]-N-propan-2-ylthieno[3,2-b]pyridin-5-amine (PubChem CID 156710450) has the molecular formula C18H21BrN4OS and a molecular weight of 421.36 g/mol. Its IUPAC name is 7-bromo-2-[2-(oxan-2-yl)pyrazol-3-yl]-N-propan-2-ylthieno[3,2-b]pyridin-5-amine.

Molecular Properties

Compound Name7-bromo-2-[2-(oxan-2-yl)pyrazol-3-yl]-N-propan-2-ylthieno[3,2-b]pyridin-5-amine
PubChem CID156710450
Molecular FormulaC18H21BrN4OS
Molecular Weight421.36 g/mol
Exact Mass420.06
IUPAC Name7-bromo-2-[2-(oxan-2-yl)pyrazol-3-yl]-N-propan-2-ylthieno[3,2-b]pyridin-5-amine
SMILESCC(C)Nc1cc(Br)c2sc(-c3ccnn3C3CCCCO3)cc2n1
InChIInChI=1S/C18H21BrN4OS/c1-11(2)21-16-9-12(19)18-13(22-16)10-15(25-18)14-6-7-20-23(14)17-5-3-4-8-24-17/h6-7,9-11,17H,3-5,8H2,1-2H3,(H,21,22)
InChIKeyMIQDLEUSZULLGV-UHFFFAOYSA-N
XLogP5.44
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.36
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-tert-butyl-7-N-(2,2-difluoroethyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine
CID 162784868
5-N-tert-butyl-7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine
CID 162784952
5-N-tert-butyl-2-[2-(oxan-2-yl)pyrazol-3-yl]-7-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]thieno[3,2-b]pyridine-5,7-diamine
CID 162784974
5-N-tert-butyl-7-N-(4,4-difluorocyclohexyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine
CID 162785034
7-Bromo-6-methyl-4-[1-(oxan-2-yl)indazol-4-yl]-2-piperazin-1-ylthieno[3,2-d]pyrimidine
CID 118346982
trans-(1S,3S)-3-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]cyclopentan-1-ol
CID 154684704
3-[[5-(Tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-2,2-dimethylpropan-1-ol
CID 154684708
2-[[5-(Tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]-methylamino]ethanol
CID 154684711
(2R)-1-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]propan-2-ol
CID 154684714
N-[2-[[5-amino-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]acetamide
CID 154684715
1-[2-[[5-(Tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]ethyl]pyrrolidin-2-one
CID 154684718
2-[[5-(tert-butylamino)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridin-7-yl]amino]-N-cyclopropylacetamide
CID 154684731

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[2-(oxan-2-yl)pyrazol-3-yl]-N-propan-2-ylthieno[3,2-b]pyridin-5-amine?
The IUPAC name of 7-bromo-2-[2-(oxan-2-yl)pyrazol-3-yl]-N-propan-2-ylthieno[3,2-b]pyridin-5-amine (CID 156710450) is 7-bromo-2-[2-(oxan-2-yl)pyrazol-3-yl]-N-propan-2-ylthieno[3,2-b]pyridin-5-amine.
What is the SMILES notation for 7-bromo-2-[2-(oxan-2-yl)pyrazol-3-yl]-N-propan-2-ylthieno[3,2-b]pyridin-5-amine?
The canonical SMILES for 7-bromo-2-[2-(oxan-2-yl)pyrazol-3-yl]-N-propan-2-ylthieno[3,2-b]pyridin-5-amine is CC(C)Nc1cc(Br)c2sc(-c3ccnn3C3CCCCO3)cc2n1.
What is the InChIKey of 7-bromo-2-[2-(oxan-2-yl)pyrazol-3-yl]-N-propan-2-ylthieno[3,2-b]pyridin-5-amine?
The InChIKey is MIQDLEUSZULLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4OS/c1-11(2)21-16-9-12(19)18-13(22-16)10-15(25-18)14-6-7-20-23(14)17-5-3-4-8-24-17/h6-7,9-11,17H,3-5,8H2,1-2H3,(H,21,22).
What are the key properties of 7-bromo-2-[2-(oxan-2-yl)pyrazol-3-yl]-N-propan-2-ylthieno[3,2-b]pyridin-5-amine?
7-bromo-2-[2-(oxan-2-yl)pyrazol-3-yl]-N-propan-2-ylthieno[3,2-b]pyridin-5-amine has a molecular weight of 421.36 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[2-(oxan-2-yl)pyrazol-3-yl]-N-propan-2-ylthieno[3,2-b]pyridin-5-amine is sourced from PubChem (CID 156710450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).