N-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-oxazol-5-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine

C81H89BrN30O — CID 123747763

IUPACN-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-oxazol-5-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2cc(C3CCCCC3)nc3c(-c4cnn(C)c4)cnn23)on1.Cn1cc(-c2cnn3c(Nc4ccncc4)cc(C4CCCCC4)nc23)cn1.Cn1cc(-c2cnn3c(Nc4cnccn4)cc(C4CCCCC4)nc23)cn1.Cn1cc(-c2cnn3c(Nc4ncc(Br)cn4)cc(C4CCCCC4)nc23)cn1
InChIInChI=1S/C21H23N7.C20H21BrN8.C20H22N8.C20H23N7O/c1-27-14-16(12-23-27)18-13-24-28-20(25-17-7-9-22-10-8-17)11-19(26-21(18)28)15-5-3-2-4-6-15;1-28-12-14(8-24-28)16-11-25-29-18(27-20-22-9-15(21)10-23-20)7-17(26-19(16)29)13-5-3-2-4-6-13;1-27-13-15(10-23-27)16-11-24-28-19(26-18-12-21-7-8-22-18)9-17(25-20(16)28)14-5-3-2-4-6-14;1-13-8-19(28-25-13)24-18-9-17(14-6-4-3-5-7-14)23-20-16(11-22-27(18)20)15-10-21-26(2)12-15/h7-15H,2-6H2,1H3,(H,22,25);7-13H,2-6H2,1H3,(H,22,23,27);7-14H,2-6H2,1H3,(H,22,26);8-12,14,24H,3-7H2,1-2H3
InChIKeyFRVCDAGLSPQDSD-UHFFFAOYSA-N
MW1578.72 g/mol
LogP16.72
Rot. Bonds16

About N-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-oxazol-5-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine

N-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-oxazol-5-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 123747763) has the molecular formula C81H89BrN30O and a molecular weight of 1578.72 g/mol. Its IUPAC name is N-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-oxazol-5-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-oxazol-5-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID123747763
Molecular FormulaC81H89BrN30O
Molecular Weight1578.72 g/mol
Exact Mass1576.70
IUPAC NameN-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-oxazol-5-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2cc(C3CCCCC3)nc3c(-c4cnn(C)c4)cnn23)on1.Cn1cc(-c2cnn3c(Nc4ccncc4)cc(C4CCCCC4)nc23)cn1.Cn1cc(-c2cnn3c(Nc4cnccn4)cc(C4CCCCC4)nc23)cn1.Cn1cc(-c2cnn3c(Nc4ncc(Br)cn4)cc(C4CCCCC4)nc23)cn1
InChIInChI=1S/C21H23N7.C20H21BrN8.C20H22N8.C20H23N7O/c1-27-14-16(12-23-27)18-13-24-28-20(25-17-7-9-22-10-8-17)11-19(26-21(18)28)15-5-3-2-4-6-15;1-28-12-14(8-24-28)16-11-25-29-18(27-20-22-9-15(21)10-23-20)7-17(26-19(16)29)13-5-3-2-4-6-13;1-27-13-15(10-23-27)16-11-24-28-19(26-18-12-21-7-8-22-18)9-17(25-20(16)28)14-5-3-2-4-6-14;1-13-8-19(28-25-13)24-18-9-17(14-6-4-3-5-7-14)23-20-16(11-22-27(18)20)15-10-21-26(2)12-15/h7-15H,2-6H2,1H3,(H,22,25);7-13H,2-6H2,1H3,(H,22,23,27);7-14H,2-6H2,1H3,(H,22,26);8-12,14,24H,3-7H2,1-2H3
InChIKeyFRVCDAGLSPQDSD-UHFFFAOYSA-N
XLogP16.72
TPSA330.64 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds16
Heavy Atoms113
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001578.72
LogP ≤ 516.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Analyze N-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-oxazol-5-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-oxazol-5-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-oxazol-5-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 123747763) is N-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-oxazol-5-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-oxazol-5-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-oxazol-5-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2cc(C3CCCCC3)nc3c(-c4cnn(C)c4)cnn23)on1.Cn1cc(-c2cnn3c(Nc4ccncc4)cc(C4CCCCC4)nc23)cn1.Cn1cc(-c2cnn3c(Nc4cnccn4)cc(C4CCCCC4)nc23)cn1.Cn1cc(-c2cnn3c(Nc4ncc(Br)cn4)cc(C4CCCCC4)nc23)cn1.
What is the InChIKey of N-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-oxazol-5-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FRVCDAGLSPQDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7.C20H21BrN8.C20H22N8.C20H23N7O/c1-27-14-16(12-23-27)18-13-24-28-20(25-17-7-9-22-10-8-17)11-19(26-21(18)28)15-5-3-2-4-6-15;1-28-12-14(8-24-28)16-11-25-29-18(27-20-22-9-15(21)10-23-20)7-17(26-19(16)29)13-5-3-2-4-6-13;1-27-13-15(10-23-27)16-11-24-28-19(26-18-12-21-7-8-22-18)9-17(25-20(16)28)14-5-3-2-4-6-14;1-13-8-19(28-25-13)24-18-9-17(14-6-4-3-5-7-14)23-20-16(11-22-27(18)20)15-10-21-26(2)12-15/h7-15H,2-6H2,1H3,(H,22,25);7-13H,2-6H2,1H3,(H,22,23,27);7-14H,2-6H2,1H3,(H,22,26);8-12,14,24H,3-7H2,1-2H3.
What are the key properties of N-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-oxazol-5-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
N-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-oxazol-5-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1578.72 g/mol, XLogP of 16.72, 16 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-oxazol-5-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 123747763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).