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

C29H32BrClN14S — CID 143440071

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

5-[6-[4-(7-amino-6-bromo-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methylpyrazol-3-yl]piperidin-3-yl]-6-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 143440071) has the molecular formula C29H32BrClN14S and a molecular weight of 724.10 g/mol. Its IUPAC name is 5-[6-[4-(7-amino-6-bromo-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methylpyrazol-3-yl]piperidin-3-yl]-6-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 5-[6-[4-(7-amino-6-bromo-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methylpyrazol-3-yl]piperidin-3-yl]-6-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 143440071
• Molecular Formula: C29H32BrClN14S
• Molecular Weight: 724.10 g/mol
• Exact Mass: 722.15
• IUPAC Name: 5-[6-[4-(7-amino-6-bromo-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methylpyrazol-3-yl]piperidin-3-yl]-6-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: Cn1cc(-c2cnn3c(N)c(Cl)c(C4CCC(c5nn(C)cc5-c5cnn6c(N)c(Br)c(C7CNCCS7)nc56)NC4)nc23)cn1
• InChI: InChI=1S/C29H32BrClN14S/c1-42-12-15(8-36-42)16-9-37-45-27(33)22(31)23(39-28(16)45)14-3-4-19(35-7-14)24-18(13-43(2)41-24)17-10-38-44-26(32)21(30)25(40-29(17)44)20-11-34-5-6-46-20/h8-10,12-14,19-20,34-35H,3-7,11,32-33H2,1-2H3
• InChIKey: NQORGJWVPCIDPV-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 172.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	724.10
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-(7-amino-6-bromo-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methylpyrazol-3-yl]piperidin-3-yl]-6-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 5-[6-[4-(7-amino-6-bromo-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methylpyrazol-3-yl]piperidin-3-yl]-6-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 143440071) is 5-[6-[4-(7-amino-6-bromo-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methylpyrazol-3-yl]piperidin-3-yl]-6-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 5-[6-[4-(7-amino-6-bromo-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methylpyrazol-3-yl]piperidin-3-yl]-6-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 5-[6-[4-(7-amino-6-bromo-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methylpyrazol-3-yl]piperidin-3-yl]-6-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2cnn3c(N)c(Cl)c(C4CCC(c5nn(C)cc5-c5cnn6c(N)c(Br)c(C7CNCCS7)nc56)NC4)nc23)cn1.

What is the InChIKey of 5-[6-[4-(7-amino-6-bromo-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methylpyrazol-3-yl]piperidin-3-yl]-6-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is NQORGJWVPCIDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32BrClN14S/c1-42-12-15(8-36-42)16-9-37-45-27(33)22(31)23(39-28(16)45)14-3-4-19(35-7-14)24-18(13-43(2)41-24)17-10-38-44-26(32)21(30)25(40-29(17)44)20-11-34-5-6-46-20/h8-10,12-14,19-20,34-35H,3-7,11,32-33H2,1-2H3.

What are the key properties of 5-[6-[4-(7-amino-6-bromo-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methylpyrazol-3-yl]piperidin-3-yl]-6-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?

5-[6-[4-(7-amino-6-bromo-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methylpyrazol-3-yl]piperidin-3-yl]-6-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 724.10 g/mol, XLogP of 3.74, 5 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-[4-(7-amino-6-bromo-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methylpyrazol-3-yl]piperidin-3-yl]-6-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 143440071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).