3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane

C36H42Br2N12O2 — CID 160966471

IUPAC3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane
SMILESC.COc1ccc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.NC(=O)c1cccc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)c1
InChIInChI=1S/C18H19BrN6O.C17H19BrN6O.CH4/c19-14-15(12-5-2-6-22-8-12)24-18-13(9-23-25(18)16(14)20)10-3-1-4-11(7-10)17(21)26;1-25-13-5-4-10(8-21-13)12-9-22-24-16(19)14(18)15(23-17(12)24)11-3-2-6-20-7-11;/h1,3-4,7,9,12,22H,2,5-6,8,20H2,(H2,21,26);4-5,8-9,11,20H,2-3,6-7,19H2,1H3;1H4
InChIKeySXRNZGSXZFLZAY-UHFFFAOYSA-N
MW834.62 g/mol
LogP5.55
Rot. Bonds6

About 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane

3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane (PubChem CID 160966471) has the molecular formula C36H42Br2N12O2 and a molecular weight of 834.62 g/mol. Its IUPAC name is 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane.

Molecular Properties

Compound Name3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane
PubChem CID160966471
Molecular FormulaC36H42Br2N12O2
Molecular Weight834.62 g/mol
Exact Mass832.19
IUPAC Name3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane
SMILESC.COc1ccc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.NC(=O)c1cccc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)c1
InChIInChI=1S/C18H19BrN6O.C17H19BrN6O.CH4/c19-14-15(12-5-2-6-22-8-12)24-18-13(9-23-25(18)16(14)20)10-3-1-4-11(7-10)17(21)26;1-25-13-5-4-10(8-21-13)12-9-22-24-16(19)14(18)15(23-17(12)24)11-3-2-6-20-7-11;/h1,3-4,7,9,12,22H,2,5-6,8,20H2,(H2,21,26);4-5,8-9,11,20H,2-3,6-7,19H2,1H3;1H4
InChIKeySXRNZGSXZFLZAY-UHFFFAOYSA-N
XLogP5.55
TPSA201.69 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500834.62
LogP ≤ 55.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane with MolForge

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134795854
N-[(3-methoxyphenyl)methyl]-1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134798704
6-(3-methoxyphenyl)-1-methyl-N-(2-pyridin-2-ylethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803167
N-[3-[3-(6-methoxypyridin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 69131127
4-[6-bromo-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-[(6-methoxy-3-pyridinyl)amino]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 159100243
3-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;(6-methoxy-3-pyridinyl)boronic acid;3-(6-methoxy-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(6-oxo-1H-pyridin-3-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide
CID 159725713
5-Bromo-2-methoxypyridine;2-bromo-2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;2-(6-methoxy-3-pyridinyl)-1-pyridin-2-ylethanone;3-(6-methyl-3-pyridinyl)-2-pyridin-2-yl-7-(trifluoromethyl)imidazo[1,2-b]pyridazine;1-pyridin-2-ylethanone;5-(trifluoromethyl)pyridazin-3-amine
CID 159795021
2-[4-[3-amino-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide;2-[4-(5-amino-7H-pyrrolo[3,4-b]pyridin-3-yl)phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide;5-bromo-1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-b]pyridin-3-amine;3-bromo-7H-pyrrolo[3,4-b]pyridin-5-amine
CID 160802014
3-bromo-N-[6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;(6-fluoro-3-pyridinyl)boronic acid;3-(6-fluoro-3-pyridinyl)-N-[6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide
CID 161230706
N-[5-[4-[4-[bis[(4-methoxyphenyl)methyl]amino]imidazo[2,1-f][1,2,4]triazin-7-yl]pyrazol-1-yl]-6-methyl-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 165113791
4-[4-[[4-[3-[[5-[[(3-ethyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-2-pyridinyl]oxy]propyl]piperazin-1-yl]methyl]piperidin-1-yl]-N-fluorobenzamide
CID 171081229
6-Bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 16666504

Frequently Asked Questions

What is the IUPAC name of 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane?
The IUPAC name of 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane (CID 160966471) is 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane.
What is the SMILES notation for 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane?
The canonical SMILES for 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane is C.COc1ccc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.NC(=O)c1cccc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)c1.
What is the InChIKey of 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane?
The InChIKey is SXRNZGSXZFLZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN6O.C17H19BrN6O.CH4/c19-14-15(12-5-2-6-22-8-12)24-18-13(9-23-25(18)16(14)20)10-3-1-4-11(7-10)17(21)26;1-25-13-5-4-10(8-21-13)12-9-22-24-16(19)14(18)15(23-17(12)24)11-3-2-6-20-7-11;/h1,3-4,7,9,12,22H,2,5-6,8,20H2,(H2,21,26);4-5,8-9,11,20H,2-3,6-7,19H2,1H3;1H4.
What are the key properties of 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane?
3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane has a molecular weight of 834.62 g/mol, XLogP of 5.55, 6 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)benzamide;6-bromo-3-(6-methoxy-3-pyridinyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;methane is sourced from PubChem (CID 160966471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).