3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C20H20BrN7S — CID 11305917

IUPAC3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESBrc1cnn2c(NCc3ccc(-c4csnn4)cc3)cc(C3CCNCC3)nc12
InChIInChI=1S/C20H20BrN7S/c21-16-11-24-28-19(9-17(25-20(16)28)15-5-7-22-8-6-15)23-10-13-1-3-14(4-2-13)18-12-29-27-26-18/h1-4,9,11-12,15,22-23H,5-8,10H2
InChIKeyNMRWXECZJUWXPG-UHFFFAOYSA-N
MW470.40 g/mol
LogP4.09
Rot. Bonds5

About 3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 11305917) has the molecular formula C20H20BrN7S and a molecular weight of 470.40 g/mol. Its IUPAC name is 3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID11305917
Molecular FormulaC20H20BrN7S
Molecular Weight470.40 g/mol
Exact Mass469.07
IUPAC Name3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESBrc1cnn2c(NCc3ccc(-c4csnn4)cc3)cc(C3CCNCC3)nc12
InChIInChI=1S/C20H20BrN7S/c21-16-11-24-28-19(9-17(25-20(16)28)15-5-7-22-8-6-15)23-10-13-1-3-14(4-2-13)18-12-29-27-26-18/h1-4,9,11-12,15,22-23H,5-8,10H2
InChIKeyNMRWXECZJUWXPG-UHFFFAOYSA-N
XLogP4.09
TPSA80.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.40
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 11305917) is 3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is Brc1cnn2c(NCc3ccc(-c4csnn4)cc3)cc(C3CCNCC3)nc12.
What is the InChIKey of 3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NMRWXECZJUWXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN7S/c21-16-11-24-28-19(9-17(25-20(16)28)15-5-7-22-8-6-15)23-10-13-1-3-14(4-2-13)18-12-29-27-26-18/h1-4,9,11-12,15,22-23H,5-8,10H2.
What are the key properties of 3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 470.40 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-piperidin-4-yl-N-[[4-(thiadiazol-4-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 11305917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).