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

C39H43N15OS — CID 143439874

IUPAC5-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
SMILESCc1csc(Nc2cc(C3CCC(c4nn(C)cc4-c4cnn5c(Nc6cc(C)on6)cc(C6CCCNC6)nc45)NC3)nc3c(-c4cnn(C)c4)cnn23)c1
InChIInChI=1S/C39H43N15OS/c1-22-10-36(56-21-22)48-35-13-32(45-38-27(17-43-54(35)38)26-16-42-51(3)19-26)25-7-8-30(41-15-25)37-29(20-52(4)49-37)28-18-44-53-34(47-33-11-23(2)55-50-33)12-31(46-39(28)53)24-6-5-9-40-14-24/h10-13,16-21,24-25,30,40-41,48H,5-9,14-15H2,1-4H3,(H,47,50)
InChIKeyJPQXJFTUPIFZIG-UHFFFAOYSA-N
MW769.94 g/mol
LogP6.40
Rot. Bonds9

About 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

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 (PubChem CID 143439874) has the molecular formula C39H43N15OS and a molecular weight of 769.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID143439874
Molecular FormulaC39H43N15OS
Molecular Weight769.94 g/mol
Exact Mass769.35
IUPAC Name5-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
SMILESCc1csc(Nc2cc(C3CCC(c4nn(C)cc4-c4cnn5c(Nc6cc(C)on6)cc(C6CCCNC6)nc45)NC3)nc3c(-c4cnn(C)c4)cnn23)c1
InChIInChI=1S/C39H43N15OS/c1-22-10-36(56-21-22)48-35-13-32(45-38-27(17-43-54(35)38)26-16-42-51(3)19-26)25-7-8-30(41-15-25)37-29(20-52(4)49-37)28-18-44-53-34(47-33-11-23(2)55-50-33)12-31(46-39(28)53)24-6-5-9-40-14-24/h10-13,16-21,24-25,30,40-41,48H,5-9,14-15H2,1-4H3,(H,47,50)
InChIKeyJPQXJFTUPIFZIG-UHFFFAOYSA-N
XLogP6.40
TPSA170.17 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500769.94
LogP ≤ 56.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1csc(Nc2cc(C3CCC(c4nn(C)cc4-c4cnn5c(Nc6cc(C)on6)cc(C6CCCNC6)nc45)NC3)nc3c(-c4cnn(C)c4)cnn23)c1.
What is the InChIKey of 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?
The InChIKey is JPQXJFTUPIFZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H43N15OS/c1-22-10-36(56-21-22)48-35-13-32(45-38-27(17-43-54(35)38)26-16-42-51(3)19-26)25-7-8-30(41-15-25)37-29(20-52(4)49-37)28-18-44-53-34(47-33-11-23(2)55-50-33)12-31(46-39(28)53)24-6-5-9-40-14-24/h10-13,16-21,24-25,30,40-41,48H,5-9,14-15H2,1-4H3,(H,47,50).
What are the key properties of 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?
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 has a molecular weight of 769.94 g/mol, XLogP of 6.40, 9 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143439874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).