6-bromo-5-[(3S)-3-methylpyrrolidin-1-yl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C15H16BrN5S — CID 71200424

IUPAC6-bromo-5-[(3S)-3-methylpyrrolidin-1-yl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESC[C@H]1CCN(c2nc3c(-c4ccsc4)cnn3c(N)c2Br)C1
InChIInChI=1S/C15H16BrN5S/c1-9-2-4-20(7-9)15-12(16)13(17)21-14(19-15)11(6-18-21)10-3-5-22-8-10/h3,5-6,8-9H,2,4,7,17H2,1H3/t9-/m0/s1
InChIKeyCFYZEBLUDIOXLL-VIFPVBQESA-N
MW378.30 g/mol
LogP3.65
Rot. Bonds2

About 6-bromo-5-[(3S)-3-methylpyrrolidin-1-yl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

6-bromo-5-[(3S)-3-methylpyrrolidin-1-yl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71200424) has the molecular formula C15H16BrN5S and a molecular weight of 378.30 g/mol. Its IUPAC name is 6-bromo-5-[(3S)-3-methylpyrrolidin-1-yl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-bromo-5-[(3S)-3-methylpyrrolidin-1-yl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID71200424
Molecular FormulaC15H16BrN5S
Molecular Weight378.30 g/mol
Exact Mass377.03
IUPAC Name6-bromo-5-[(3S)-3-methylpyrrolidin-1-yl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESC[C@H]1CCN(c2nc3c(-c4ccsc4)cnn3c(N)c2Br)C1
InChIInChI=1S/C15H16BrN5S/c1-9-2-4-20(7-9)15-12(16)13(17)21-14(19-15)11(6-18-21)10-3-5-22-8-10/h3,5-6,8-9H,2,4,7,17H2,1H3/t9-/m0/s1
InChIKeyCFYZEBLUDIOXLL-VIFPVBQESA-N
XLogP3.65
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-[(3S)-3-methylpyrrolidin-1-yl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-bromo-5-[(3S)-3-methylpyrrolidin-1-yl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 71200424) is 6-bromo-5-[(3S)-3-methylpyrrolidin-1-yl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-bromo-5-[(3S)-3-methylpyrrolidin-1-yl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-bromo-5-[(3S)-3-methylpyrrolidin-1-yl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is C[C@H]1CCN(c2nc3c(-c4ccsc4)cnn3c(N)c2Br)C1.
What is the InChIKey of 6-bromo-5-[(3S)-3-methylpyrrolidin-1-yl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is CFYZEBLUDIOXLL-VIFPVBQESA-N. The full InChI is InChI=1S/C15H16BrN5S/c1-9-2-4-20(7-9)15-12(16)13(17)21-14(19-15)11(6-18-21)10-3-5-22-8-10/h3,5-6,8-9H,2,4,7,17H2,1H3/t9-/m0/s1.
What are the key properties of 6-bromo-5-[(3S)-3-methylpyrrolidin-1-yl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
6-bromo-5-[(3S)-3-methylpyrrolidin-1-yl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 378.30 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-[(3S)-3-methylpyrrolidin-1-yl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71200424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).