3-[2-[5-[7-amino-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]pyrazol-3-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C28H31N13S — CID 143440260

IUPAC3-[2-[5-[7-amino-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]pyrazol-3-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(C2CCC(n3nccc3-c3cnn4c(N)cc(C5CCCNC5)nc34)NC2)nc2c(-c3cncs3)cnn12
InChIInChI=1S/C28H31N13S/c29-24-8-20(16-2-1-6-31-10-16)37-27-18(12-35-40(24)27)22-5-7-34-39(22)26-4-3-17(11-33-26)21-9-25(30)41-28(38-21)19(13-36-41)23-14-32-15-42-23/h5,7-9,12-17,26,31,33H,1-4,6,10-11,29-30H2
InChIKeyRJTBJSVFDKCFKW-UHFFFAOYSA-N
MW581.71 g/mol
LogP3.06
Rot. Bonds5

About 3-[2-[5-[7-amino-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]pyrazol-3-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

3-[2-[5-[7-amino-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]pyrazol-3-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 143440260) has the molecular formula C28H31N13S and a molecular weight of 581.71 g/mol. Its IUPAC name is 3-[2-[5-[7-amino-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]pyrazol-3-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-[2-[5-[7-amino-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]pyrazol-3-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID143440260
Molecular FormulaC28H31N13S
Molecular Weight581.71 g/mol
Exact Mass581.25
IUPAC Name3-[2-[5-[7-amino-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]pyrazol-3-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(C2CCC(n3nccc3-c3cnn4c(N)cc(C5CCCNC5)nc34)NC2)nc2c(-c3cncs3)cnn12
InChIInChI=1S/C28H31N13S/c29-24-8-20(16-2-1-6-31-10-16)37-27-18(12-35-40(24)27)22-5-7-34-39(22)26-4-3-17(11-33-26)21-9-25(30)41-28(38-21)19(13-36-41)23-14-32-15-42-23/h5,7-9,12-17,26,31,33H,1-4,6,10-11,29-30H2
InChIKeyRJTBJSVFDKCFKW-UHFFFAOYSA-N
XLogP3.06
TPSA167.19 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.71
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 3-[2-[5-[7-amino-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]pyrazol-3-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-({4-[3-phenyl-5-(1,3-thiazol-2-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24971394
5-(Piperidin-3-yl)-3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224363
5-(Piperidin-3-yl)-3-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224365
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-6-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224366
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-6-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224565
2-methyl-N-(3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl)benzo[d]thiazol-5-amine
CID 24815998
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(1,3-thiazol-2-yl)imidazo[1,5-b]pyridazin-7-amine
CID 71007274
5-[1-(6-Piperazin-1-yl-2-pyridyl)pyrazolo[4,3-c]pyridin-6-yl]thiazole
CID 72715048
(3R)-1-[6-[6-(1,3-thiazol-5-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine
CID 89914774
3-(methylthio)-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 44444340
N-(3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl)thiazol-2-amine
CID 53321968
N-benzyl-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
CID 70682754

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-[7-amino-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]pyrazol-3-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-[2-[5-[7-amino-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]pyrazol-3-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 143440260) is 3-[2-[5-[7-amino-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]pyrazol-3-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-[2-[5-[7-amino-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]pyrazol-3-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-[2-[5-[7-amino-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]pyrazol-3-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is Nc1cc(C2CCC(n3nccc3-c3cnn4c(N)cc(C5CCCNC5)nc34)NC2)nc2c(-c3cncs3)cnn12.
What is the InChIKey of 3-[2-[5-[7-amino-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]pyrazol-3-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RJTBJSVFDKCFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N13S/c29-24-8-20(16-2-1-6-31-10-16)37-27-18(12-35-40(24)27)22-5-7-34-39(22)26-4-3-17(11-33-26)21-9-25(30)41-28(38-21)19(13-36-41)23-14-32-15-42-23/h5,7-9,12-17,26,31,33H,1-4,6,10-11,29-30H2.
What are the key properties of 3-[2-[5-[7-amino-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]pyrazol-3-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
3-[2-[5-[7-amino-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]pyrazol-3-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 581.71 g/mol, XLogP of 3.06, 5 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-[7-amino-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]pyrazol-3-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 143440260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).