N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C40H35Br2FN12 — CID 143090579

IUPACN-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESBrc1cnn2c(NCc3ccc4nc[nH]c4c3)cc(C3CCCCC3)nc12.Fc1ccccc1-c1cc(NCc2ccc3nc[nH]c3c2)n2ncc(Br)c2n1
InChIInChI=1S/C20H14BrFN6.C20H21BrN6/c21-14-10-26-28-19(23-9-12-5-6-16-18(7-12)25-11-24-16)8-17(27-20(14)28)13-3-1-2-4-15(13)22;21-15-11-25-27-19(9-17(26-20(15)27)14-4-2-1-3-5-14)22-10-13-6-7-16-18(8-13)24-12-23-16/h1-8,10-11,23H,9H2,(H,24,25);6-9,11-12,14,22H,1-5,10H2,(H,23,24)
InChIKeySKIWRFOSEMQOTA-UHFFFAOYSA-N
MW862.61 g/mol
LogP9.81
Rot. Bonds8

About N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 143090579) has the molecular formula C40H35Br2FN12 and a molecular weight of 862.61 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID143090579
Molecular FormulaC40H35Br2FN12
Molecular Weight862.61 g/mol
Exact Mass860.15
IUPAC NameN-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESBrc1cnn2c(NCc3ccc4nc[nH]c4c3)cc(C3CCCCC3)nc12.Fc1ccccc1-c1cc(NCc2ccc3nc[nH]c3c2)n2ncc(Br)c2n1
InChIInChI=1S/C20H14BrFN6.C20H21BrN6/c21-14-10-26-28-19(23-9-12-5-6-16-18(7-12)25-11-24-16)8-17(27-20(14)28)13-3-1-2-4-15(13)22;21-15-11-25-27-19(9-17(26-20(15)27)14-4-2-1-3-5-14)22-10-13-6-7-16-18(8-13)24-12-23-16/h1-8,10-11,23H,9H2,(H,24,25);6-9,11-12,14,22H,1-5,10H2,(H,23,24)
InChIKeySKIWRFOSEMQOTA-UHFFFAOYSA-N
XLogP9.81
TPSA141.80 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.61
LogP ≤ 59.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-(2-fluorophenyl)pyrazolo[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

4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-cyclopentylbenzamide
CID 21066325
4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-N-cyclobutylbenzamide
CID 21066324
5-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one
CID 11395520
[4-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]sulfonylformonitrile
CID 143090058
5-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1,3-dihydroindol-2-one
CID 21066405
3-bromo-5-(2-fluorophenyl)-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066966
3-bromo-5-cyclohexyl-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 21067027
5-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1,3-dihydroindol-2-one
CID 21066407
N-[[4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methyl]cycloheptanecarboxamide
CID 21068337
3-bromo-5-(2-fluorophenyl)-N-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066975
3-bromo-5-(2-fluorophenyl)-N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine;ethane;methane
CID 143440699
N-[[4-[[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methyl]-4-cyclohexylbenzamide
CID 21068313

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 143090579) is N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine is Brc1cnn2c(NCc3ccc4nc[nH]c4c3)cc(C3CCCCC3)nc12.Fc1ccccc1-c1cc(NCc2ccc3nc[nH]c3c2)n2ncc(Br)c2n1.
What is the InChIKey of N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SKIWRFOSEMQOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrFN6.C20H21BrN6/c21-14-10-26-28-19(23-9-12-5-6-16-18(7-12)25-11-24-16)8-17(27-20(14)28)13-3-1-2-4-15(13)22;21-15-11-25-27-19(9-17(26-20(15)27)14-4-2-1-3-5-14)22-10-13-6-7-16-18(8-13)24-12-23-16/h1-8,10-11,23H,9H2,(H,24,25);6-9,11-12,14,22H,1-5,10H2,(H,23,24).
What are the key properties of N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 862.61 g/mol, XLogP of 9.81, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 143090579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).