6-bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine

C26H28Br3N11S — CID 143439904

IUPAC6-bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(Br)c(N2CCCC2)nc2c(Sc3ccccc3)cnn12.Nc1c(Br)c(N2CCNCC2)nc2c(Br)cnn12
InChIInChI=1S/C16H16BrN5S.C10H12Br2N6/c17-13-14(18)22-15(20-16(13)21-8-4-5-9-21)12(10-19-22)23-11-6-2-1-3-7-11;11-6-5-15-18-8(13)7(12)10(16-9(6)18)17-3-1-14-2-4-17/h1-3,6-7,10H,4-5,8-9,18H2;5,14H,1-4,13H2
InChIKeyIZSVHDIJGVMLIP-UHFFFAOYSA-N
MW766.37 g/mol
LogP5.07
Rot. Bonds4

About 6-bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine

6-bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 143439904) has the molecular formula C26H28Br3N11S and a molecular weight of 766.37 g/mol. Its IUPAC name is 6-bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID143439904
Molecular FormulaC26H28Br3N11S
Molecular Weight766.37 g/mol
Exact Mass762.98
IUPAC Name6-bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(Br)c(N2CCCC2)nc2c(Sc3ccccc3)cnn12.Nc1c(Br)c(N2CCNCC2)nc2c(Br)cnn12
InChIInChI=1S/C16H16BrN5S.C10H12Br2N6/c17-13-14(18)22-15(20-16(13)21-8-4-5-9-21)12(10-19-22)23-11-6-2-1-3-7-11;11-6-5-15-18-8(13)7(12)10(16-9(6)18)17-3-1-14-2-4-17/h1-3,6-7,10H,4-5,8-9,18H2;5,14H,1-4,13H2
InChIKeyIZSVHDIJGVMLIP-UHFFFAOYSA-N
XLogP5.07
TPSA130.93 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500766.37
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 6-bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Launch Full Analysis

Related Compounds

5-[(3S)-3-aminopyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine
CID 16225775
5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine
CID 16225976
6-Bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 71011380
3-Phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 71058358
6-bromo-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine
CID 71058459
5-(3-Aminopyrrolidin-1-yl)-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine
CID 143440096
Ethane;3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 143440247
Methanamine;3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 143440584
6-Bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane
CID 143441884
3-[4-[4-(7-amino-3,6-dibromopyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenyl]sulfanyl-5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromopyrazolo[1,5-a]pyrimidin-7-amine
CID 147826611
bis(5-N-(4-aminocyclohexyl)-3,6-dibromopyrazolo[1,5-a]pyrimidine-5,7-diamine);5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dichloropyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 160519816
5-N-(4-aminocyclohexyl)-3,6-dibromopyrazolo[1,5-a]pyrimidine-5,7-diamine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-chloropyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-phenylsulfanylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3,6-dichloropyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 161730846

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 143439904) is 6-bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine is Nc1c(Br)c(N2CCCC2)nc2c(Sc3ccccc3)cnn12.Nc1c(Br)c(N2CCNCC2)nc2c(Br)cnn12.
What is the InChIKey of 6-bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IZSVHDIJGVMLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN5S.C10H12Br2N6/c17-13-14(18)22-15(20-16(13)21-8-4-5-9-21)12(10-19-22)23-11-6-2-1-3-7-11;11-6-5-15-18-8(13)7(12)10(16-9(6)18)17-3-1-14-2-4-17/h1-3,6-7,10H,4-5,8-9,18H2;5,14H,1-4,13H2.
What are the key properties of 6-bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
6-bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 766.37 g/mol, XLogP of 5.07, 4 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-phenylsulfanyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;3,6-dibromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 143439904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).