N-[1-(3-bromothiophen-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine

C15H17BrN4S — CID 43770256

IUPACN-[1-(3-bromothiophen-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
SMILESCC(Nc1cnc2c(cnn2C(C)C)c1)c1sccc1Br
InChIInChI=1S/C15H17BrN4S/c1-9(2)20-15-11(7-18-20)6-12(8-17-15)19-10(3)14-13(16)4-5-21-14/h4-10,19H,1-3H3
InChIKeyFOZOLDZBLXMFCE-UHFFFAOYSA-N
MW365.30 g/mol
LogP5.01
Rot. Bonds4

About N-[1-(3-bromothiophen-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine

N-[1-(3-bromothiophen-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine (PubChem CID 43770256) has the molecular formula C15H17BrN4S and a molecular weight of 365.30 g/mol. Its IUPAC name is N-[1-(3-bromothiophen-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine.

Molecular Properties

Compound NameN-[1-(3-bromothiophen-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
PubChem CID43770256
Molecular FormulaC15H17BrN4S
Molecular Weight365.30 g/mol
Exact Mass364.04
IUPAC NameN-[1-(3-bromothiophen-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
SMILESCC(Nc1cnc2c(cnn2C(C)C)c1)c1sccc1Br
InChIInChI=1S/C15H17BrN4S/c1-9(2)20-15-11(7-18-20)6-12(8-17-15)19-10(3)14-13(16)4-5-21-14/h4-10,19H,1-3H3
InChIKeyFOZOLDZBLXMFCE-UHFFFAOYSA-N
XLogP5.01
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.30
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
The IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine (CID 43770256) is N-[1-(3-bromothiophen-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine.
What is the SMILES notation for N-[1-(3-bromothiophen-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
The canonical SMILES for N-[1-(3-bromothiophen-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine is CC(Nc1cnc2c(cnn2C(C)C)c1)c1sccc1Br.
What is the InChIKey of N-[1-(3-bromothiophen-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
The InChIKey is FOZOLDZBLXMFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4S/c1-9(2)20-15-11(7-18-20)6-12(8-17-15)19-10(3)14-13(16)4-5-21-14/h4-10,19H,1-3H3.
What are the key properties of N-[1-(3-bromothiophen-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
N-[1-(3-bromothiophen-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine has a molecular weight of 365.30 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromothiophen-2-yl)ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine is sourced from PubChem (CID 43770256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).