5-N-(4-aminocyclohexyl)-7-N-[4-(benzenesulfonyl)phenyl]-3-bromopyrazolo[1,5-a]pyrimidine-5,7-diamine

C24H25BrN6O2S — CID 11284129

IUPAC5-N-(4-aminocyclohexyl)-7-N-[4-(benzenesulfonyl)phenyl]-3-bromopyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESC1CC(CCC1N)NC2=NC3=C(C=NN3C(=C2)NC4=CC=C(C=C4)S(=O)(=O)C5=CC=CC=C5)Br
InChIInChI=1S/C24H25BrN6O2S/c25-21-15-27-31-23(14-22(30-24(21)31)28-17-8-6-16(26)7-9-17)29-18-10-12-20(13-11-18)34(32,33)19-4-2-1-3-5-19/h1-5,10-17,29H,6-9,26H2,(H,28,30)
InChIKeyGZVRXEGFMOGBKP-UHFFFAOYSA-N
MW541.50 g/mol
LogP4.40
Rot. Bonds6

About 5-N-(4-aminocyclohexyl)-7-N-[4-(benzenesulfonyl)phenyl]-3-bromopyrazolo[1,5-a]pyrimidine-5,7-diamine

5-N-(4-aminocyclohexyl)-7-N-[4-(benzenesulfonyl)phenyl]-3-bromopyrazolo[1,5-a]pyrimidine-5,7-diamine (PubChem CID 11284129) has the molecular formula C24H25BrN6O2S and a molecular weight of 541.50 g/mol. Its IUPAC name is 5-N-(4-aminocyclohexyl)-7-N-[4-(benzenesulfonyl)phenyl]-3-bromopyrazolo[1,5-a]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name5-N-(4-aminocyclohexyl)-7-N-[4-(benzenesulfonyl)phenyl]-3-bromopyrazolo[1,5-a]pyrimidine-5,7-diamine
PubChem CID11284129
Molecular FormulaC24H25BrN6O2S
Molecular Weight541.50 g/mol
Exact Mass540.09
IUPAC Name5-N-(4-aminocyclohexyl)-7-N-[4-(benzenesulfonyl)phenyl]-3-bromopyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESC1CC(CCC1N)NC2=NC3=C(C=NN3C(=C2)NC4=CC=C(C=C4)S(=O)(=O)C5=CC=CC=C5)Br
InChIInChI=1S/C24H25BrN6O2S/c25-21-15-27-31-23(14-22(30-24(21)31)28-17-8-6-16(26)7-9-17)29-18-10-12-20(13-11-18)34(32,33)19-4-2-1-3-5-19/h1-5,10-17,29H,6-9,26H2,(H,28,30)
InChIKeyGZVRXEGFMOGBKP-UHFFFAOYSA-N
XLogP4.40
TPSA123.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity760

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.50
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-N-(4-aminocyclohexyl)-7-N-[4-(benzenesulfonyl)phenyl]-3-bromopyrazolo[1,5-a]pyrimidine-5,7-diamine 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 5-N-(4-aminocyclohexyl)-7-N-[4-(benzenesulfonyl)phenyl]-3-bromopyrazolo[1,5-a]pyrimidine-5,7-diamine?
The IUPAC name of 5-N-(4-aminocyclohexyl)-7-N-[4-(benzenesulfonyl)phenyl]-3-bromopyrazolo[1,5-a]pyrimidine-5,7-diamine (CID 11284129) is 5-N-(4-aminocyclohexyl)-7-N-[4-(benzenesulfonyl)phenyl]-3-bromopyrazolo[1,5-a]pyrimidine-5,7-diamine.
What is the SMILES notation for 5-N-(4-aminocyclohexyl)-7-N-[4-(benzenesulfonyl)phenyl]-3-bromopyrazolo[1,5-a]pyrimidine-5,7-diamine?
The canonical SMILES for 5-N-(4-aminocyclohexyl)-7-N-[4-(benzenesulfonyl)phenyl]-3-bromopyrazolo[1,5-a]pyrimidine-5,7-diamine is C1CC(CCC1N)NC2=NC3=C(C=NN3C(=C2)NC4=CC=C(C=C4)S(=O)(=O)C5=CC=CC=C5)Br.
What is the InChIKey of 5-N-(4-aminocyclohexyl)-7-N-[4-(benzenesulfonyl)phenyl]-3-bromopyrazolo[1,5-a]pyrimidine-5,7-diamine?
The InChIKey is GZVRXEGFMOGBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN6O2S/c25-21-15-27-31-23(14-22(30-24(21)31)28-17-8-6-16(26)7-9-17)29-18-10-12-20(13-11-18)34(32,33)19-4-2-1-3-5-19/h1-5,10-17,29H,6-9,26H2,(H,28,30).
What are the key properties of 5-N-(4-aminocyclohexyl)-7-N-[4-(benzenesulfonyl)phenyl]-3-bromopyrazolo[1,5-a]pyrimidine-5,7-diamine?
5-N-(4-aminocyclohexyl)-7-N-[4-(benzenesulfonyl)phenyl]-3-bromopyrazolo[1,5-a]pyrimidine-5,7-diamine has a molecular weight of 541.50 g/mol, XLogP of 4.40, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-aminocyclohexyl)-7-N-[4-(benzenesulfonyl)phenyl]-3-bromopyrazolo[1,5-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 11284129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).