2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-N-ethyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C101H122Br3N41O3 — CID 161160290

IUPAC2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-N-ethyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCNc1c(Br)c(C2CCCNC2)nc2c(-c3cnn(C)c3Br)cnn12.Cn1cc(-c2cnn3c(NCCN4CCOCC4)c(Br)c(C4CCCNC4)nc23)cn1.N#Cc1cncc(-c2cnn3c(N)cc(C4CCCNC4)nc23)c1.Nc1cc(C2CCCNC2)nc2c(-c3cccnc3)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3cnn(CCO)c3)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3cnoc3)cnn12
InChIInChI=1S/C21H29BrN8O.C17H21Br2N7.C17H17N7.C16H21N7O.C16H18N6.C14H16N6O/c1-28-14-16(12-25-28)17-13-26-30-20(17)27-19(15-3-2-4-23-11-15)18(22)21(30)24-5-6-29-7-9-31-10-8-29;1-3-21-17-13(18)14(10-5-4-6-20-7-10)24-16-12(9-23-26(16)17)11-8-22-25(2)15(11)19;18-6-11-4-13(9-21-7-11)14-10-22-24-16(19)5-15(23-17(14)24)12-2-1-3-20-8-12;17-15-6-14(11-2-1-3-18-7-11)21-16-13(9-20-23(15)16)12-8-19-22(10-12)4-5-24;17-15-7-14(12-4-2-6-19-9-12)21-16-13(10-20-22(15)16)11-3-1-5-18-8-11;15-13-4-12(9-2-1-3-16-5-9)19-14-11(7-17-20(13)14)10-6-18-21-8-10/h12-15,23-24H,2-11H2,1H3;8-10,20-21H,3-7H2,1-2H3;4-5,7,9-10,12,20H,1-3,8,19H2;6,8-11,18,24H,1-5,7,17H2;1,3,5,7-8,10,12,19H,2,4,6,9,17H2;4,6-9,16H,1-3,5,15H2
InChIKeyUPVHCUHKQRTAEB-UHFFFAOYSA-N
MW2198.08 g/mol
LogP11.28
Rot. Bonds20

About 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-N-ethyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-N-ethyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 161160290) has the molecular formula C101H122Br3N41O3 and a molecular weight of 2198.08 g/mol. Its IUPAC name is 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-N-ethyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-N-ethyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID161160290
Molecular FormulaC101H122Br3N41O3
Molecular Weight2198.08 g/mol
Exact Mass2193.82
IUPAC Name2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-N-ethyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCNc1c(Br)c(C2CCCNC2)nc2c(-c3cnn(C)c3Br)cnn12.Cn1cc(-c2cnn3c(NCCN4CCOCC4)c(Br)c(C4CCCNC4)nc23)cn1.N#Cc1cncc(-c2cnn3c(N)cc(C4CCCNC4)nc23)c1.Nc1cc(C2CCCNC2)nc2c(-c3cccnc3)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3cnn(CCO)c3)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3cnoc3)cnn12
InChIInChI=1S/C21H29BrN8O.C17H21Br2N7.C17H17N7.C16H21N7O.C16H18N6.C14H16N6O/c1-28-14-16(12-25-28)17-13-26-30-20(17)27-19(15-3-2-4-23-11-15)18(22)21(30)24-5-6-29-7-9-31-10-8-29;1-3-21-17-13(18)14(10-5-4-6-20-7-10)24-16-12(9-23-26(16)17)11-8-22-25(2)15(11)19;18-6-11-4-13(9-21-7-11)14-10-22-24-16(19)5-15(23-17(14)24)12-2-1-3-20-8-12;17-15-6-14(11-2-1-3-18-7-11)21-16-13(9-20-23(15)16)12-8-19-22(10-12)4-5-24;17-15-7-14(12-4-2-6-19-9-12)21-16-13(10-20-22(15)16)11-3-1-5-18-8-11;15-13-4-12(9-2-1-3-16-5-9)19-14-11(7-17-20(13)14)10-6-18-21-8-10/h12-15,23-24H,2-11H2,1H3;8-10,20-21H,3-7H2,1-2H3;4-5,7,9-10,12,20H,1-3,8,19H2;6,8-11,18,24H,1-5,7,17H2;1,3,5,7-8,10,12,19H,2,4,6,9,17H2;4,6-9,16H,1-3,5,15H2
InChIKeyUPVHCUHKQRTAEB-UHFFFAOYSA-N
XLogP11.28
TPSA543.22 Ų
H-Bond Donors13
H-Bond Acceptors44
Rotatable Bonds20
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002198.08
LogP ≤ 511.28
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1044

Analyze 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-N-ethyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[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-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-N-ethyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-N-ethyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 161160290) is 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-N-ethyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-N-ethyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-N-ethyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is CCNc1c(Br)c(C2CCCNC2)nc2c(-c3cnn(C)c3Br)cnn12.Cn1cc(-c2cnn3c(NCCN4CCOCC4)c(Br)c(C4CCCNC4)nc23)cn1.N#Cc1cncc(-c2cnn3c(N)cc(C4CCCNC4)nc23)c1.Nc1cc(C2CCCNC2)nc2c(-c3cccnc3)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3cnn(CCO)c3)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3cnoc3)cnn12.
What is the InChIKey of 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-N-ethyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UPVHCUHKQRTAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29BrN8O.C17H21Br2N7.C17H17N7.C16H21N7O.C16H18N6.C14H16N6O/c1-28-14-16(12-25-28)17-13-26-30-20(17)27-19(15-3-2-4-23-11-15)18(22)21(30)24-5-6-29-7-9-31-10-8-29;1-3-21-17-13(18)14(10-5-4-6-20-7-10)24-16-12(9-23-26(16)17)11-8-22-25(2)15(11)19;18-6-11-4-13(9-21-7-11)14-10-22-24-16(19)5-15(23-17(14)24)12-2-1-3-20-8-12;17-15-6-14(11-2-1-3-18-7-11)21-16-13(9-20-23(15)16)12-8-19-22(10-12)4-5-24;17-15-7-14(12-4-2-6-19-9-12)21-16-13(10-20-22(15)16)11-3-1-5-18-8-11;15-13-4-12(9-2-1-3-16-5-9)19-14-11(7-17-20(13)14)10-6-18-21-8-10/h12-15,23-24H,2-11H2,1H3;8-10,20-21H,3-7H2,1-2H3;4-5,7,9-10,12,20H,1-3,8,19H2;6,8-11,18,24H,1-5,7,17H2;1,3,5,7-8,10,12,19H,2,4,6,9,17H2;4,6-9,16H,1-3,5,15H2.
What are the key properties of 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-N-ethyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-N-ethyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2198.08 g/mol, XLogP of 11.28, 20 rotatable bonds, 13 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]ethanol;5-(7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-3-carbonitrile;6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-N-ethyl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,2-oxazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 161160290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).