N-[4-(7-amino-6-bromo-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C28H30BrClN14S — CID 71198921

IUPACN-[4-(7-amino-6-bromo-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(Nn4cc(-c5cnn6c(N)c(Br)c(C7CNCCS7)nc56)cn4)c(Cl)c(C4CCCNC4)nc23)cn1
InChIInChI=1S/C28H30BrClN14S/c1-41-13-16(8-34-41)18-11-37-44-27(18)38-23(15-3-2-4-32-7-15)22(30)28(44)40-42-14-17(9-35-42)19-10-36-43-25(31)21(29)24(39-26(19)43)20-12-33-5-6-45-20/h8-11,13-15,20,32-33,40H,2-7,12,31H2,1H3
InChIKeyLUKRSGIGFJNDNT-UHFFFAOYSA-N
MW710.07 g/mol
LogP3.75
Rot. Bonds6

About N-[4-(7-amino-6-bromo-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

N-[4-(7-amino-6-bromo-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 71198921) has the molecular formula C28H30BrClN14S and a molecular weight of 710.07 g/mol. Its IUPAC name is N-[4-(7-amino-6-bromo-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[4-(7-amino-6-bromo-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID71198921
Molecular FormulaC28H30BrClN14S
Molecular Weight710.07 g/mol
Exact Mass708.14
IUPAC NameN-[4-(7-amino-6-bromo-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(Nn4cc(-c5cnn6c(N)c(Br)c(C7CNCCS7)nc56)cn4)c(Cl)c(C4CCCNC4)nc23)cn1
InChIInChI=1S/C28H30BrClN14S/c1-41-13-16(8-34-41)18-11-37-44-27(18)38-23(15-3-2-4-32-7-15)22(30)28(44)40-42-14-17(9-35-42)19-10-36-43-25(31)21(29)24(39-26(19)43)20-12-33-5-6-45-20/h8-11,13-15,20,32-33,40H,2-7,12,31H2,1H3
InChIKeyLUKRSGIGFJNDNT-UHFFFAOYSA-N
XLogP3.75
TPSA158.13 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.07
LogP ≤ 53.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze N-[4-(7-amino-6-bromo-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-6-chloro-3-(1-methylpyrazol-4-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

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-amino-6-bromo-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[4-(7-amino-6-bromo-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 71198921) is N-[4-(7-amino-6-bromo-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[4-(7-amino-6-bromo-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[4-(7-amino-6-bromo-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2cnn3c(Nn4cc(-c5cnn6c(N)c(Br)c(C7CNCCS7)nc56)cn4)c(Cl)c(C4CCCNC4)nc23)cn1.
What is the InChIKey of N-[4-(7-amino-6-bromo-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LUKRSGIGFJNDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30BrClN14S/c1-41-13-16(8-34-41)18-11-37-44-27(18)38-23(15-3-2-4-32-7-15)22(30)28(44)40-42-14-17(9-35-42)19-10-36-43-25(31)21(29)24(39-26(19)43)20-12-33-5-6-45-20/h8-11,13-15,20,32-33,40H,2-7,12,31H2,1H3.
What are the key properties of N-[4-(7-amino-6-bromo-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[4-(7-amino-6-bromo-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 710.07 g/mol, XLogP of 3.75, 6 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-amino-6-bromo-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 71198921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).