N-[3-[6-(6-amino-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine;hydrochloride

C19H15ClN8S — CID 68703632

IUPACN-[3-[6-(6-amino-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine;hydrochloride
SMILESCl.Nc1ccc(-c2cnc3c(-c4cccc(Nc5nncs5)c4)cnn3c2)cn1
InChIInChI=1S/C19H14N8S.ClH/c20-17-5-4-13(7-21-17)14-8-22-18-16(9-24-27(18)10-14)12-2-1-3-15(6-12)25-19-26-23-11-28-19;/h1-11H,(H2,20,21)(H,25,26);1H
InChIKeyBRWJJWAOTCIZKP-UHFFFAOYSA-N
MW422.91 g/mol
LogP4.06
Rot. Bonds4

About N-[3-[6-(6-amino-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine;hydrochloride

N-[3-[6-(6-amino-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine;hydrochloride (PubChem CID 68703632) has the molecular formula C19H15ClN8S and a molecular weight of 422.91 g/mol. Its IUPAC name is N-[3-[6-(6-amino-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[3-[6-(6-amino-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine;hydrochloride
PubChem CID68703632
Molecular FormulaC19H15ClN8S
Molecular Weight422.91 g/mol
Exact Mass422.08
IUPAC NameN-[3-[6-(6-amino-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine;hydrochloride
SMILESCl.Nc1ccc(-c2cnc3c(-c4cccc(Nc5nncs5)c4)cnn3c2)cn1
InChIInChI=1S/C19H14N8S.ClH/c20-17-5-4-13(7-21-17)14-8-22-18-16(9-24-27(18)10-14)12-2-1-3-15(6-12)25-19-26-23-11-28-19;/h1-11H,(H2,20,21)(H,25,26);1H
InChIKeyBRWJJWAOTCIZKP-UHFFFAOYSA-N
XLogP4.06
TPSA106.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.91
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

6-(4-fluorophenyl)-3-iodopyrazolo[1,5-a]pyrimidine;N-[3-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine
CID 158000224
N-[3-(6-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine
CID 24962535
N-[3-(6-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine
CID 59277818
N-[3-[6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]acetamide
CID 10133022
1-(2-aminoethyl)-3-[3-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]urea
CID 59320954
5-[3-(6-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)phenyl]-1,3,4-thiadiazol-2-amine
CID 118431169
4-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)pyridin-2-amine
CID 157036389
1-[3-[6-[4-(1-aminoethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol;methane;1-[3-[6-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethanol
CID 158866611
3-(3-methylsulfanylphenyl)-6-(4-propylphenyl)pyrazolo[1,5-a]pyrimidine
CID 166824919
5-(1-iodopyrazol-4-yl)pyridin-2-amine
CID 135249480
N-(4-bromophenyl)-4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide
CID 59603821
6-(6-amino-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 173089053

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(6-amino-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine;hydrochloride?
The IUPAC name of N-[3-[6-(6-amino-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine;hydrochloride (CID 68703632) is N-[3-[6-(6-amino-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine;hydrochloride.
What is the SMILES notation for N-[3-[6-(6-amino-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine;hydrochloride?
The canonical SMILES for N-[3-[6-(6-amino-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine;hydrochloride is Cl.Nc1ccc(-c2cnc3c(-c4cccc(Nc5nncs5)c4)cnn3c2)cn1.
What is the InChIKey of N-[3-[6-(6-amino-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine;hydrochloride?
The InChIKey is BRWJJWAOTCIZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N8S.ClH/c20-17-5-4-13(7-21-17)14-8-22-18-16(9-24-27(18)10-14)12-2-1-3-15(6-12)25-19-26-23-11-28-19;/h1-11H,(H2,20,21)(H,25,26);1H.
What are the key properties of N-[3-[6-(6-amino-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine;hydrochloride?
N-[3-[6-(6-amino-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine;hydrochloride has a molecular weight of 422.91 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(6-amino-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-1,3,4-thiadiazol-2-amine;hydrochloride is sourced from PubChem (CID 68703632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).