6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(2-methyl-1H-diazet-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C28H34BrClN14S — CID 143440315

IUPAC6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(2-methyl-1H-diazet-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(N)c(Br)c(C4CNCCS4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(Cl)c(C4CCCNC4)nc23)[nH]1
InChIInChI=1S/C14H16BrN7S.C14H18ClN7/c1-21-7-8(4-18-21)9-5-19-22-13(16)11(15)12(20-14(9)22)10-6-17-2-3-23-10;1-21-7-10(20-21)9-6-18-22-13(16)11(15)12(19-14(9)22)8-3-2-4-17-5-8/h4-5,7,10,17H,2-3,6,16H2,1H3;6-8,17,20H,2-5,16H2,1H3
InChIKeyYDBDGUXULBOBIL-UHFFFAOYSA-N
MW714.10 g/mol
LogP3.62
Rot. Bonds4

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

6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(2-methyl-1H-diazet-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 143440315) has the molecular formula C28H34BrClN14S and a molecular weight of 714.10 g/mol. Its IUPAC name is 6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(2-methyl-1H-diazet-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(2-methyl-1H-diazet-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID143440315
Molecular FormulaC28H34BrClN14S
Molecular Weight714.10 g/mol
Exact Mass712.17
IUPAC Name6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(2-methyl-1H-diazet-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(N)c(Br)c(C4CNCCS4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(Cl)c(C4CCCNC4)nc23)[nH]1
InChIInChI=1S/C14H16BrN7S.C14H18ClN7/c1-21-7-8(4-18-21)9-5-19-22-13(16)11(15)12(20-14(9)22)10-6-17-2-3-23-10;1-21-7-10(20-21)9-6-18-22-13(16)11(15)12(19-14(9)22)8-3-2-4-17-5-8/h4-5,7,10,17H,2-3,6,16H2,1H3;6-8,17,20H,2-5,16H2,1H3
InChIKeyYDBDGUXULBOBIL-UHFFFAOYSA-N
XLogP3.62
TPSA175.02 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.10
LogP ≤ 53.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze 6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(2-methyl-1H-diazet-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

Related Compounds

N-[4-[7-amino-5-(1-oxo-1,4-thiazinan-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]-6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 71011341
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
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
6-Bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 143440171
6-Bromo-3-(1-methylpyrazol-4-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);bis(6-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine)
CID 159802048
Bis(6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine);6-bromo-3-(1-methylpyrazol-4-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 160741919

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(2-methyl-1H-diazet-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(2-methyl-1H-diazet-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 143440315) is 6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(2-methyl-1H-diazet-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(2-methyl-1H-diazet-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(2-methyl-1H-diazet-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2cnn3c(N)c(Br)c(C4CNCCS4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(Cl)c(C4CCCNC4)nc23)[nH]1.
What is the InChIKey of 6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(2-methyl-1H-diazet-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YDBDGUXULBOBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN7S.C14H18ClN7/c1-21-7-8(4-18-21)9-5-19-22-13(16)11(15)12(20-14(9)22)10-6-17-2-3-23-10;1-21-7-10(20-21)9-6-18-22-13(16)11(15)12(19-14(9)22)8-3-2-4-17-5-8/h4-5,7,10,17H,2-3,6,16H2,1H3;6-8,17,20H,2-5,16H2,1H3.
What are the key properties of 6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(2-methyl-1H-diazet-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(2-methyl-1H-diazet-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 714.10 g/mol, XLogP of 3.62, 4 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-chloro-3-(2-methyl-1H-diazet-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 143440315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).