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

C76H89N33OS2 — CID 158893394

IUPACN-(2-ethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine
SMILESCCn1nccc1Nc1cc(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn12.Cc1cc(Nc2cc(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)no1.Cc1csc(Nc2cc(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)c1.Cn1cc(-c2cnn3c(Nc4nncs4)cc(C4CCCNC4)nc23)cn1
InChIInChI=1S/C20H25N9.C20H23N7S.C19H22N8O.C17H19N9S/c1-3-28-18(6-8-22-28)26-19-9-17(14-5-4-7-21-10-14)25-20-16(12-24-29(19)20)15-11-23-27(2)13-15;1-13-6-19(28-12-13)25-18-7-17(14-4-3-5-21-8-14)24-20-16(10-23-27(18)20)15-9-22-26(2)11-15;1-12-6-17(25-28-12)24-18-7-16(13-4-3-5-20-8-13)23-19-15(10-22-27(18)19)14-9-21-26(2)11-14;1-25-9-12(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/h6,8-9,11-14,21,26H,3-5,7,10H2,1-2H3;6-7,9-12,14,21,25H,3-5,8H2,1-2H3;6-7,9-11,13,20H,3-5,8H2,1-2H3,(H,24,25);5,7-11,18H,2-4,6H2,1H3,(H,23,24)
InChIKeyJENFXHISDKGNFE-UHFFFAOYSA-N
MW1544.91 g/mol
LogP11.10
Rot. Bonds17

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

N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-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 158893394) has the molecular formula C76H89N33OS2 and a molecular weight of 1544.91 g/mol. Its IUPAC name is N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;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-(2-ethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine
PubChem CID158893394
Molecular FormulaC76H89N33OS2
Molecular Weight1544.91 g/mol
Exact Mass1543.74
IUPAC NameN-(2-ethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine
SMILESCCn1nccc1Nc1cc(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn12.Cc1cc(Nc2cc(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)no1.Cc1csc(Nc2cc(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)c1.Cn1cc(-c2cnn3c(Nc4nncs4)cc(C4CCCNC4)nc23)cn1
InChIInChI=1S/C20H25N9.C20H23N7S.C19H22N8O.C17H19N9S/c1-3-28-18(6-8-22-28)26-19-9-17(14-5-4-7-21-10-14)25-20-16(12-24-29(19)20)15-11-23-27(2)13-15;1-13-6-19(28-12-13)25-18-7-17(14-4-3-5-21-8-14)24-20-16(10-23-27(18)20)15-9-22-26(2)11-15;1-12-6-17(25-28-12)24-18-7-16(13-4-3-5-20-8-13)23-19-15(10-22-27(18)19)14-9-21-26(2)11-14;1-25-9-12(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/h6,8-9,11-14,21,26H,3-5,7,10H2,1-2H3;6-7,9-12,14,21,25H,3-5,8H2,1-2H3;6-7,9-11,13,20H,3-5,8H2,1-2H3,(H,24,25);5,7-11,18H,2-4,6H2,1H3,(H,23,24)
InChIKeyJENFXHISDKGNFE-UHFFFAOYSA-N
XLogP11.10
TPSA357.91 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds17
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001544.91
LogP ≤ 511.10
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

Analyze N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

5-methyl-N-[3-[1-methyl-3-[5-[3-(1-methylpyrazol-4-yl)-7-[(4-methylthiophen-2-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]pyrazol-4-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine
CID 143439874
tert-butylbenzene;2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-1H-pyridin-2-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butylpyrimidine;3-tert-butyl-2H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 157988527
5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-methyl-N-[5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 158081547
N-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine
CID 158533552
5-cyclohexyl-N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine;N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-[5-(2,3,4,5-tetrahydropyridin-6-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 159147606
N-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;5-ethylsulfanyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-3-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-phenyl-1,3-thiazol-2-amine;3-(1-methylpyrazol-4-yl)-N-(2-phenylpyrazol-3-yl)imidazo[1,2-a]pyrazin-8-amine
CID 161159686
N-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;5-ethylsulfanyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-oxazol-3-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]isoquinolin-1-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-4-phenyl-1,3-thiazol-2-amine
CID 162023968

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;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-(2-ethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine (CID 158893394) is N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;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-(2-ethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;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-(2-ethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine is CCn1nccc1Nc1cc(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn12.Cc1cc(Nc2cc(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)no1.Cc1csc(Nc2cc(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)c1.Cn1cc(-c2cnn3c(Nc4nncs4)cc(C4CCCNC4)nc23)cn1.
What is the InChIKey of N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;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 JENFXHISDKGNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N9.C20H23N7S.C19H22N8O.C17H19N9S/c1-3-28-18(6-8-22-28)26-19-9-17(14-5-4-7-21-10-14)25-20-16(12-24-29(19)20)15-11-23-27(2)13-15;1-13-6-19(28-12-13)25-18-7-17(14-4-3-5-21-8-14)24-20-16(10-23-27(18)20)15-9-22-26(2)11-15;1-12-6-17(25-28-12)24-18-7-16(13-4-3-5-20-8-13)23-19-15(10-22-27(18)19)14-9-21-26(2)11-14;1-25-9-12(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/h6,8-9,11-14,21,26H,3-5,7,10H2,1-2H3;6-7,9-12,14,21,25H,3-5,8H2,1-2H3;6-7,9-11,13,20H,3-5,8H2,1-2H3,(H,24,25);5,7-11,18H,2-4,6H2,1H3,(H,23,24).
What are the key properties of N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine?
N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-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 1544.91 g/mol, XLogP of 11.10, 17 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;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 158893394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).