2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine

C100H108Br6N42O2 — CID 162231251

IUPAC2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.N#Cc1ccc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.N#Cc1cncc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)c1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cnn(CCO)c3)cnn12.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cnn(Cc4ccccn4)c3)cnn12.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cnoc3)cnn12
InChIInChI=1S/C20H21BrN8.2C17H16BrN7.C16H20BrN7O.C16H20BrN7.C14H15BrN6O/c21-17-18(13-4-3-6-23-8-13)27-20-16(10-26-29(20)19(17)22)14-9-25-28(11-14)12-15-5-1-2-7-24-15;18-14-15(11-2-1-5-21-7-11)24-17-13(9-23-25(17)16(14)20)10-3-4-12(6-19)22-8-10;18-14-15(11-2-1-3-21-7-11)24-17-13(9-23-25(17)16(14)20)12-4-10(5-19)6-22-8-12;17-13-14(10-2-1-3-19-6-10)22-16-12(8-21-24(16)15(13)18)11-7-20-23(9-11)4-5-25;1-2-23-9-11(7-20-23)12-8-21-24-15(18)13(17)14(22-16(12)24)10-4-3-5-19-6-10;15-11-12(8-2-1-3-17-4-8)20-14-10(9-5-19-22-7-9)6-18-21(14)13(11)16/h1-2,5,7,9-11,13,23H,3-4,6,8,12,22H2;3-4,8-9,11,21H,1-2,5,7,20H2;4,6,8-9,11,21H,1-3,7,20H2;7-10,19,25H,1-6,18H2;7-10,19H,2-6,18H2,1H3;5-8,17H,1-4,16H2
InChIKeyZVLOIHZJLADFFI-UHFFFAOYSA-N
MW2409.68 g/mol
LogP13.81
Rot. Bonds17

About 2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine

2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 162231251) has the molecular formula C100H108Br6N42O2 and a molecular weight of 2409.68 g/mol. Its IUPAC name is 2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID162231251
Molecular FormulaC100H108Br6N42O2
Molecular Weight2409.68 g/mol
Exact Mass2402.47
IUPAC Name2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.N#Cc1ccc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.N#Cc1cncc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)c1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cnn(CCO)c3)cnn12.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cnn(Cc4ccccn4)c3)cnn12.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cnoc3)cnn12
InChIInChI=1S/C20H21BrN8.2C17H16BrN7.C16H20BrN7O.C16H20BrN7.C14H15BrN6O/c21-17-18(13-4-3-6-23-8-13)27-20-16(10-26-29(20)19(17)22)14-9-25-28(11-14)12-15-5-1-2-7-24-15;18-14-15(11-2-1-5-21-7-11)24-17-13(9-23-25(17)16(14)20)10-3-4-12(6-19)22-8-10;18-14-15(11-2-1-3-21-7-11)24-17-13(9-23-25(17)16(14)20)12-4-10(5-19)6-22-8-12;17-13-14(10-2-1-3-19-6-10)22-16-12(8-21-24(16)15(13)18)11-7-20-23(9-11)4-5-25;1-2-23-9-11(7-20-23)12-8-21-24-15(18)13(17)14(22-16(12)24)10-4-3-5-19-6-10;15-11-12(8-2-1-3-17-4-8)20-14-10(9-5-19-22-7-9)6-18-21(14)13(11)16/h1-2,5,7,9-11,13,23H,3-4,6,8,12,22H2;3-4,8-9,11,21H,1-2,5,7,20H2;4,6,8-9,11,21H,1-3,7,20H2;7-10,19,25H,1-6,18H2;7-10,19H,2-6,18H2,1H3;5-8,17H,1-4,16H2
InChIKeyZVLOIHZJLADFFI-UHFFFAOYSA-N
XLogP13.81
TPSA595.41 Ų
H-Bond Donors13
H-Bond Acceptors44
Rotatable Bonds17
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002409.68
LogP ≤ 513.81
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1044

Analyze 2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 162231251) is 2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine is CCn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.N#Cc1ccc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.N#Cc1cncc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)c1.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cnn(CCO)c3)cnn12.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cnn(Cc4ccccn4)c3)cnn12.Nc1c(Br)c(C2CCCNC2)nc2c(-c3cnoc3)cnn12.
What is the InChIKey of 2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZVLOIHZJLADFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN8.2C17H16BrN7.C16H20BrN7O.C16H20BrN7.C14H15BrN6O/c21-17-18(13-4-3-6-23-8-13)27-20-16(10-26-29(20)19(17)22)14-9-25-28(11-14)12-15-5-1-2-7-24-15;18-14-15(11-2-1-5-21-7-11)24-17-13(9-23-25(17)16(14)20)10-3-4-12(6-19)22-8-10;18-14-15(11-2-1-3-21-7-11)24-17-13(9-23-25(17)16(14)20)12-4-10(5-19)6-22-8-12;17-13-14(10-2-1-3-19-6-10)22-16-12(8-21-24(16)15(13)18)11-7-20-23(9-11)4-5-25;1-2-23-9-11(7-20-23)12-8-21-24-15(18)13(17)14(22-16(12)24)10-4-3-5-19-6-10;15-11-12(8-2-1-3-17-4-8)20-14-10(9-5-19-22-7-9)6-18-21(14)13(11)16/h1-2,5,7,9-11,13,23H,3-4,6,8,12,22H2;3-4,8-9,11,21H,1-2,5,7,20H2;4,6,8-9,11,21H,1-3,7,20H2;7-10,19,25H,1-6,18H2;7-10,19H,2-6,18H2,1H3;5-8,17H,1-4,16H2.
What are the key properties of 2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2409.68 g/mol, XLogP of 13.81, 17 rotatable bonds, 13 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-2-carbonitrile;5-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;6-bromo-3-(1-ethylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 162231251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).