3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C94H111N37O3S3 — CID 159430003

IUPAC3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)Cc1ncc(-c2cnn3c(N)cc(C4CCCNC4)nc23)s1.CSc1ncc(-c2cnn3c(N)cc(C4CCCNC4)nc23)cn1.Nc1cc(C2CCCNC2)nc2c(-c3ccc4c(c3)OCO4)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3ccn[nH]3)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3cnco3)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3cncs3)cnn12
InChIInChI=1S/C18H24N6S.C18H19N5O2.C16H19N7S.C14H17N7.C14H16N6O.C14H16N6S/c1-11(2)6-17-21-10-15(25-17)13-9-22-24-16(19)7-14(23-18(13)24)12-4-3-5-20-8-12;19-17-7-14(12-2-1-5-20-8-12)22-18-13(9-21-23(17)18)11-3-4-15-16(6-11)25-10-24-15;1-24-16-19-7-11(8-20-16)12-9-21-23-14(17)5-13(22-15(12)23)10-3-2-4-18-6-10;15-13-6-12(9-2-1-4-16-7-9)19-14-10(8-18-21(13)14)11-3-5-17-20-11;2*15-13-4-11(9-2-1-3-16-5-9)19-14-10(6-18-20(13)14)12-7-17-8-21-12/h7,9-12,20H,3-6,8,19H2,1-2H3;3-4,6-7,9,12,20H,1-2,5,8,10,19H2;5,7-10,18H,2-4,6,17H2,1H3;3,5-6,8-9,16H,1-2,4,7,15H2,(H,17,20);2*4,6-9,16H,1-3,5,15H2
InChIKeyLQWBIRAEEUNLFV-UHFFFAOYSA-N
MW1903.38 g/mol
LogP11.74
Rot. Bonds15

About 3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine

3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159430003) has the molecular formula C94H111N37O3S3 and a molecular weight of 1903.38 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID159430003
Molecular FormulaC94H111N37O3S3
Molecular Weight1903.38 g/mol
Exact Mass1901.88
IUPAC Name3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)Cc1ncc(-c2cnn3c(N)cc(C4CCCNC4)nc23)s1.CSc1ncc(-c2cnn3c(N)cc(C4CCCNC4)nc23)cn1.Nc1cc(C2CCCNC2)nc2c(-c3ccc4c(c3)OCO4)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3ccn[nH]3)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3cnco3)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3cncs3)cnn12
InChIInChI=1S/C18H24N6S.C18H19N5O2.C16H19N7S.C14H17N7.C14H16N6O.C14H16N6S/c1-11(2)6-17-21-10-15(25-17)13-9-22-24-16(19)7-14(23-18(13)24)12-4-3-5-20-8-12;19-17-7-14(12-2-1-5-20-8-12)22-18-13(9-21-23(17)18)11-3-4-15-16(6-11)25-10-24-15;1-24-16-19-7-11(8-20-16)12-9-21-23-14(17)5-13(22-15(12)23)10-3-2-4-18-6-10;15-13-6-12(9-2-1-4-16-7-9)19-14-10(8-18-21(13)14)11-3-5-17-20-11;2*15-13-4-11(9-2-1-3-16-5-9)19-14-10(6-18-20(13)14)12-7-17-8-21-12/h7,9-12,20H,3-6,8,19H2,1-2H3;3-4,6-7,9,12,20H,1-2,5,8,10,19H2;5,7-10,18H,2-4,6,17H2,1H3;3,5-6,8-9,16H,1-2,4,7,15H2,(H,17,20);2*4,6-9,16H,1-3,5,15H2
InChIKeyLQWBIRAEEUNLFV-UHFFFAOYSA-N
XLogP11.74
TPSA534.17 Ų
H-Bond Donors13
H-Bond Acceptors42
Rotatable Bonds15
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001903.38
LogP ≤ 511.74
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1042

Analyze 3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 159430003) is 3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine is CC(C)Cc1ncc(-c2cnn3c(N)cc(C4CCCNC4)nc23)s1.CSc1ncc(-c2cnn3c(N)cc(C4CCCNC4)nc23)cn1.Nc1cc(C2CCCNC2)nc2c(-c3ccc4c(c3)OCO4)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3ccn[nH]3)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3cnco3)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3cncs3)cnn12.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LQWBIRAEEUNLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6S.C18H19N5O2.C16H19N7S.C14H17N7.C14H16N6O.C14H16N6S/c1-11(2)6-17-21-10-15(25-17)13-9-22-24-16(19)7-14(23-18(13)24)12-4-3-5-20-8-12;19-17-7-14(12-2-1-5-20-8-12)22-18-13(9-21-23(17)18)11-3-4-15-16(6-11)25-10-24-15;1-24-16-19-7-11(8-20-16)12-9-21-23-14(17)5-13(22-15(12)23)10-3-2-4-18-6-10;15-13-6-12(9-2-1-4-16-7-9)19-14-10(8-18-21(13)14)11-3-5-17-20-11;2*15-13-4-11(9-2-1-3-16-5-9)19-14-10(6-18-20(13)14)12-7-17-8-21-12/h7,9-12,20H,3-6,8,19H2,1-2H3;3-4,6-7,9,12,20H,1-2,5,8,10,19H2;5,7-10,18H,2-4,6,17H2,1H3;3,5-6,8-9,16H,1-2,4,7,15H2,(H,17,20);2*4,6-9,16H,1-3,5,15H2.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1903.38 g/mol, XLogP of 11.74, 15 rotatable bonds, 13 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159430003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).