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

C18H20N8S — CID 53321968

IUPACN-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3-thiazol-2-amine
SMILESCn1cc(-c2cnn3c(Nc4nccs4)cc(C4CCCNC4)nc23)cn1
InChIInChI=1S/C18H20N8S/c1-25-11-13(9-21-25)14-10-22-26-16(24-18-20-5-6-27-18)7-15(23-17(14)26)12-3-2-4-19-8-12/h5-7,9-12,19H,2-4,8H2,1H3,(H,20,24)
InChIKeyFETYCYPVRKGWBL-UHFFFAOYSA-N
MW380.48 g/mol
LogP2.80
Rot. Bonds4

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

N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3-thiazol-2-amine (PubChem CID 53321968) has the molecular formula C18H20N8S and a molecular weight of 380.48 g/mol. Its IUPAC name is N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3-thiazol-2-amine
PubChem CID53321968
Molecular FormulaC18H20N8S
Molecular Weight380.48 g/mol
Exact Mass380.15
IUPAC NameN-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3-thiazol-2-amine
SMILESCn1cc(-c2cnn3c(Nc4nccs4)cc(C4CCCNC4)nc23)cn1
InChIInChI=1S/C18H20N8S/c1-25-11-13(9-21-25)14-10-22-26-16(24-18-20-5-6-27-18)7-15(23-17(14)26)12-3-2-4-19-8-12/h5-7,9-12,19H,2-4,8H2,1H3,(H,20,24)
InChIKeyFETYCYPVRKGWBL-UHFFFAOYSA-N
XLogP2.80
TPSA84.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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-thiazol-2-amine?
The IUPAC name of N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3-thiazol-2-amine (CID 53321968) is N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3-thiazol-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-thiazol-2-amine?
The canonical SMILES for N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3-thiazol-2-amine is Cn1cc(-c2cnn3c(Nc4nccs4)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-thiazol-2-amine?
The InChIKey is FETYCYPVRKGWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8S/c1-25-11-13(9-21-25)14-10-22-26-16(24-18-20-5-6-27-18)7-15(23-17(14)26)12-3-2-4-19-8-12/h5-7,9-12,19H,2-4,8H2,1H3,(H,20,24).
What are the key properties of N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3-thiazol-2-amine?
N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3-thiazol-2-amine has a molecular weight of 380.48 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 9 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-thiazol-2-amine is sourced from PubChem (CID 53321968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).