3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;propane

C32H37Br2N11 — CID 160814167

IUPAC3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;propane
SMILESBrc1cnn2c(NCc3cccnc3)cc(C3CCCCN3)nc12.Brc1cnn2c(NCc3cccnc3)ccnc12.CCC
InChIInChI=1S/C17H19BrN6.C12H10BrN5.C3H8/c18-13-11-22-24-16(21-10-12-4-3-6-19-9-12)8-15(23-17(13)24)14-5-1-2-7-20-14;13-10-8-17-18-11(3-5-15-12(10)18)16-7-9-2-1-4-14-6-9;1-3-2/h3-4,6,8-9,11,14,20-21H,1-2,5,7,10H2;1-6,8,16H,7H2;3H2,1-2H3
InChIKeySERPJQKFKKIDEM-UHFFFAOYSA-N
MW735.53 g/mol
LogP7.23
Rot. Bonds7

About 3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;propane

3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;propane (PubChem CID 160814167) has the molecular formula C32H37Br2N11 and a molecular weight of 735.53 g/mol. Its IUPAC name is 3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;propane.

Molecular Properties

Compound Name3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;propane
PubChem CID160814167
Molecular FormulaC32H37Br2N11
Molecular Weight735.53 g/mol
Exact Mass733.16
IUPAC Name3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;propane
SMILESBrc1cnn2c(NCc3cccnc3)cc(C3CCCCN3)nc12.Brc1cnn2c(NCc3cccnc3)ccnc12.CCC
InChIInChI=1S/C17H19BrN6.C12H10BrN5.C3H8/c18-13-11-22-24-16(21-10-12-4-3-6-19-9-12)8-15(23-17(13)24)14-5-1-2-7-20-14;13-10-8-17-18-11(3-5-15-12(10)18)16-7-9-2-1-4-14-6-9;1-3-2/h3-4,6,8-9,11,14,20-21H,1-2,5,7,10H2;1-6,8,16H,7H2;3H2,1-2H3
InChIKeySERPJQKFKKIDEM-UHFFFAOYSA-N
XLogP7.23
TPSA122.25 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500735.53
LogP ≤ 57.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;propane with MolForge

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Related Compounds

3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 159291178
3-bromo-5-N-cyclohexyl-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 21067210
2-[(1S)-2-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]propan-2-ol
CID 58781382
3-bromo-5-(2-methylidenecyclohexyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 89023521
3-bromo-5-(1-methylsulfanylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 142870415
5-(2-bicyclo[2.2.1]heptanyl)-3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21067044
4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-N-cyclopentylpiperidine-1-carboxamide
CID 21066194
[4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 21066161
[(1S,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol
CID 11154670
3-bromo-5-(2-bromophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066638
3-bromo-5-(1-cyclopentylsulfonylpiperidin-3-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066600
2-[[3-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]phenol
CID 21065621

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;propane?
The IUPAC name of 3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;propane (CID 160814167) is 3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;propane.
What is the SMILES notation for 3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;propane?
The canonical SMILES for 3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;propane is Brc1cnn2c(NCc3cccnc3)cc(C3CCCCN3)nc12.Brc1cnn2c(NCc3cccnc3)ccnc12.CCC.
What is the InChIKey of 3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;propane?
The InChIKey is SERPJQKFKKIDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN6.C12H10BrN5.C3H8/c18-13-11-22-24-16(21-10-12-4-3-6-19-9-12)8-15(23-17(13)24)14-5-1-2-7-20-14;13-10-8-17-18-11(3-5-15-12(10)18)16-7-9-2-1-4-14-6-9;1-3-2/h3-4,6,8-9,11,14,20-21H,1-2,5,7,10H2;1-6,8,16H,7H2;3H2,1-2H3.
What are the key properties of 3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;propane?
3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;propane has a molecular weight of 735.53 g/mol, XLogP of 7.23, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-piperidin-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;propane is sourced from PubChem (CID 160814167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).