N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine

C17H19N9S — CID 24824679

IUPACN-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine
SMILESCn1cc(-c2cnn3c(Nc4nncs4)cc(C4CCCNC4)nc23)cn1
InChIInChI=1S/C17H19N9S/c1-25-9-12(7-20-25)13-8-21-26-15(23-17-24-19-10-27-17)5-14(22-16(13)26)11-3-2-4-18-6-11/h5,7-11,18H,2-4,6H2,1H3,(H,23,24)
InChIKeyUZQLUCAWINOHJN-UHFFFAOYSA-N
MW381.47 g/mol
LogP2.19
Rot. Bonds4

About N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine

N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 24824679) has the molecular formula C17H19N9S and a molecular weight of 381.47 g/mol. Its IUPAC name is N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine
PubChem CID24824679
Molecular FormulaC17H19N9S
Molecular Weight381.47 g/mol
Exact Mass381.15
IUPAC NameN-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine
SMILESCn1cc(-c2cnn3c(Nc4nncs4)cc(C4CCCNC4)nc23)cn1
InChIInChI=1S/C17H19N9S/c1-25-9-12(7-20-25)13-8-21-26-15(23-17-24-19-10-27-17)5-14(22-16(13)26)11-3-2-4-18-6-11/h5,7-11,18H,2-4,6H2,1H3,(H,23,24)
InChIKeyUZQLUCAWINOHJN-UHFFFAOYSA-N
XLogP2.19
TPSA97.85 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

CID 46239015
CID 46239015
CID 16224745
CID 16224745
CID 46239014
CID 46239014
CID 118216704
CID 118216704
CID 11632327
CID 11632327
CID 11724991
CID 11724991
CID 16046104
CID 16046104
CID 16224162
CID 16224162
CID 16224163
CID 16224163
CID 16224366
CID 16224366
CID 16224368
CID 16224368
CID 16224369
CID 16224369

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine (CID 24824679) is N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine is Cn1cc(-c2cnn3c(Nc4nncs4)cc(C4CCCNC4)nc23)cn1.
What is the InChIKey of N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is UZQLUCAWINOHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N9S/c1-25-9-12(7-20-25)13-8-21-26-15(23-17-24-19-10-27-17)5-14(22-16(13)26)11-3-2-4-18-6-11/h5,7-11,18H,2-4,6H2,1H3,(H,23,24).
What are the key properties of N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine?
N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 381.47 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 24824679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).